5G3G_1p_i001_c001 JHcorina 12120617133D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 81 86 0 1 0 0 0 0 0999 V2000 -0.0595 -0.1257 0.0163 P 0 0 0 -0.6911 0.4918 1.4922 O 0 0 0 0.6382 1.4085 -0.3270 O 0 5 0 -0.0961 0.3903 2.2477 H 0 0 0 -6.7799 1.4947 0.0632 C 0 0 0 -6.0116 0.5070 0.7531 O 0 0 0 -5.7492 -0.9685 0.1646 P 0 0 0 -7.0889 -1.7327 0.0741 O 0 5 0 -5.1235 -0.8575 -1.2436 O 0 0 0 -4.7427 -1.7633 1.1380 O 0 0 0 -4.2322 -3.0634 0.8359 C 0 0 1 -4.6302 -3.4174 -0.1151 H 0 0 0 -2.6879 -3.0443 0.8029 C 0 0 2 -2.3155 -3.7486 0.0590 H 0 0 0 -2.2854 -3.4533 2.1283 O 0 0 0 -3.1917 -4.5182 2.4895 C 0 0 2 -2.8966 -5.4485 2.0042 H 0 0 0 -4.5745 -4.0562 1.9692 C 0 0 0 -3.2225 -4.6903 3.9440 N 0 0 0 -3.5731 -5.8291 4.6170 C 0 0 0 -3.4545 -5.5275 5.9785 C 0 0 0 -3.0437 -4.2393 6.0708 N 0 0 0 -2.9012 -3.7459 4.8755 C 0 0 0 -3.7584 -6.5348 6.9241 C 0 0 0 -4.1502 -7.7453 6.4686 N 0 0 0 -4.2467 -7.9786 5.1291 C 0 0 0 -3.9676 -7.0511 4.2407 N 0 0 0 -4.6467 -9.2177 4.6957 N 0 0 0 -3.6686 -6.3164 8.1202 O 0 0 0 -2.1790 -1.6334 0.5008 C 0 0 0 -0.7572 -1.6599 0.3596 O 0 0 0 -6.3172 1.7071 -0.9006 H 0 0 0 -7.7925 1.1230 -0.0940 H 0 0 0 -6.8162 2.4075 0.6579 H 0 0 0 -5.1330 -3.5553 2.7599 H 0 0 0 -5.1396 -4.9022 1.5781 H 0 0 0 -2.5793 -2.7392 4.6536 H 0 0 0 -4.3635 -8.4519 7.0981 H 0 0 0 -4.8561 -9.9124 5.3394 H 0 0 0 -4.7201 -9.3988 3.7456 H 0 0 0 -2.6294 -1.2751 -0.4249 H 0 0 0 -2.4505 -0.9663 1.3189 H 0 0 0 -0.9905 -0.0252 -1.4264 O 0 5 0 7.6635 3.9642 -0.6694 C 0 0 0 6.9231 2.7936 -1.0209 O 0 0 0 5.5318 2.3919 -0.3172 P 0 0 0 5.7817 2.0739 1.1739 O 0 5 0 4.5374 3.5686 -0.4332 O 0 0 0 4.9162 1.0952 -1.0466 O 0 0 0 3.6343 0.5543 -0.7211 C 0 0 0 3.3595 -0.6693 -1.5975 C 0 0 1 3.4699 -0.4130 -2.6512 H 0 0 0 4.2517 -1.7495 -1.2468 O 0 0 0 3.6115 -2.9469 -1.7391 C 0 0 2 3.7592 -3.0411 -2.8149 H 0 0 0 2.1131 -2.7543 -1.4167 C 0 0 0 1.9424 -1.2197 -1.3236 C 0 0 1 1.2421 -0.8650 -2.0798 H 0 0 0 1.5031 -0.8437 -0.0168 O 0 0 0 4.1367 -4.1270 -1.0479 N 0 0 0 4.1318 -5.4111 -1.5212 C 0 0 0 4.7321 -6.1932 -0.5279 C 0 0 0 5.0697 -5.3628 0.4887 N 0 0 0 4.7255 -4.1459 0.1832 C 0 0 0 4.8645 -7.5841 -0.7491 C 0 0 0 4.4041 -8.0955 -1.9123 N 0 0 0 3.8284 -7.2818 -2.8420 C 0 0 0 3.6992 -5.9883 -2.6482 N 0 0 0 3.3704 -7.8290 -4.0141 N 0 0 0 5.3813 -8.3035 0.0885 O 0 0 0 8.5648 4.0208 -1.2797 H 0 0 0 7.0502 4.8481 -0.8442 H 0 0 0 7.9402 3.9164 0.3838 H 0 0 0 3.6199 0.2602 0.3284 H 0 0 0 2.8665 1.3076 -0.8979 H 0 0 0 1.4950 -3.1579 -2.2187 H 0 0 0 1.8632 -3.2260 -0.4664 H 0 0 0 4.8803 -3.2808 0.8109 H 0 0 0 4.4842 -9.0464 -2.0865 H 0 0 0 3.4587 -8.7821 -4.1715 H 0 0 0 2.9584 -7.2628 -4.6853 H 0 0 0 1 2 1 0 1 3 1 0 1 31 1 0 1 43 1 0 1 59 1 0 2 4 1 0 5 6 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 18 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 30 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 18 35 1 0 18 36 1 0 19 23 1 0 19 20 1 0 20 27 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 23 37 1 0 24 25 1 0 24 29 2 0 25 26 1 0 25 38 1 0 26 27 2 0 26 28 1 0 28 39 1 0 28 40 1 0 30 31 1 0 30 41 1 0 30 42 1 0 44 45 1 0 44 71 1 0 44 72 1 0 44 73 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 49 50 1 0 50 51 1 0 50 74 1 0 50 75 1 0 51 52 1 0 51 57 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 60 1 0 56 57 1 0 56 76 1 0 56 77 1 0 57 58 1 0 57 59 1 0 60 64 1 0 60 61 1 0 61 68 1 0 61 62 2 0 62 63 1 0 62 65 1 0 63 64 2 0 64 78 1 0 65 66 1 0 65 70 2 0 66 67 1 0 66 79 1 0 67 68 2 0 67 69 1 0 69 80 1 0 69 81 1 0 M CHG 4 3 -1 8 -1 43 -1 47 -1 M END $$$$ 5G3G_1p_i001_c002 JHcorina 12120617133D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 81 86 0 1 0 0 0 0 0999 V2000 -0.0595 -0.1257 0.0163 P 0 0 0 -0.6845 0.5063 1.4889 O 0 0 0 0.6362 1.4052 -0.3454 O 0 5 0 -0.0861 0.4123 2.2426 H 0 0 0 -6.7886 0.7794 -1.6811 C 0 0 0 -6.0148 0.1644 -0.6491 O 0 0 0 -5.7427 -1.4211 -0.5838 P 0 0 0 -7.0776 -2.1636 -0.3519 O 0 5 0 -5.1164 -1.8914 -1.9155 O 0 0 0 -4.7322 -1.7427 0.6276 O 0 0 0 -4.2134 -3.0497 0.8823 C 0 0 1 -4.6081 -3.7640 0.1598 H 0 0 0 -2.6836 -3.0368 0.8437 C 0 0 2 -2.3210 -3.7436 0.0973 H 0 0 0 -2.2498 -3.4327 2.1489 O 0 0 0 -3.2776 -4.2829 2.6899 C 0 0 2 -3.2697 -5.2613 2.2097 H 0 0 0 -4.5471 -3.4922 2.3150 C 0 0 0 -3.1439 -4.4113 4.1431 N 0 0 0 -3.6138 -5.4420 4.9112 C 0 0 0 -3.2559 -5.1381 6.2296 C 0 0 0 -2.5950 -3.9551 6.2045 N 0 0 0 -2.5229 -3.5279 4.9778 C 0 0 0 -3.6179 -6.0428 7.2550 C 0 0 0 -4.2945 -7.1619 6.9141 N 0 0 0 -4.6147 -7.4027 5.6112 C 0 0 0 -4.2844 -6.5700 4.6495 N 0 0 0 -5.3017 -8.5476 5.2946 N 0 0 0 -3.3265 -5.8187 8.4175 O 0 0 0 -2.1764 -1.6289 0.5254 C 0 0 0 -0.7553 -1.6565 0.3780 O 0 0 0 -6.3263 0.5823 -2.6483 H 0 0 0 -7.7987 0.3698 -1.6710 H 0 0 0 -6.8311 1.8553 -1.5112 H 0 0 0 -4.6794 -2.6309 2.9698 H 0 0 0 -5.4277 -4.1343 2.3312 H 0 0 0 -2.0455 -2.6105 4.6669 H 0 0 0 -4.5532 -7.7972 7.5999 H 0 0 0 -5.5524 -9.1718 5.9935 H 0 0 0 -5.5367 -8.7327 4.3719 H 0 0 0 -2.6311 -1.2799 -0.4018 H 0 0 0 -2.4443 -0.9538 1.3381 H 0 0 0 -0.9971 -0.0396 -1.4231 O 0 5 0 7.9312 3.4575 0.1017 C 0 0 0 7.0872 2.4748 -0.5017 O 0 0 0 5.8129 1.8352 0.2459 P 0 0 0 6.2890 1.0187 1.4680 O 0 5 0 4.8711 2.9657 0.7170 O 0 0 0 5.0236 0.8682 -0.7711 O 0 0 0 3.7880 0.2317 -0.4391 C 0 0 0 3.3139 -0.6112 -1.6247 C 0 0 1 3.2630 0.0022 -2.5242 H 0 0 0 4.2011 -1.7152 -1.8306 O 0 0 0 3.4036 -2.8030 -2.3331 C 0 0 2 3.1129 -2.6296 -3.3692 H 0 0 0 2.1818 -2.7346 -1.3958 C 0 0 0 1.9424 -1.2197 -1.3236 C 0 0 1 1.2144 -0.9120 -2.0743 H 0 0 0 1.5031 -0.8437 -0.0168 O 0 0 0 4.1072 -4.0803 -2.1930 N 0 0 0 3.8898 -5.2097 -2.9348 C 0 0 0 4.7859 -6.1700 -2.4516 C 0 0 0 5.4967 -5.5907 -1.4536 N 0 0 0 5.1034 -4.3598 -1.3029 C 0 0 0 4.7848 -7.4552 -3.0426 C 0 0 0 3.9163 -7.6978 -4.0492 N 0 0 0 3.0672 -6.7208 -4.4763 C 0 0 0 3.0582 -5.5230 -3.9353 N 0 0 0 2.1965 -6.9957 -5.5008 N 0 0 0 5.5485 -8.3223 -2.6538 O 0 0 0 8.7215 3.7353 -0.5957 H 0 0 0 7.3410 4.3391 0.3518 H 0 0 0 8.3748 3.0477 1.0091 H 0 0 0 3.9322 -0.4111 0.4292 H 0 0 0 3.0390 0.9897 -0.2097 H 0 0 0 1.3242 -3.2463 -1.8327 H 0 0 0 2.4196 -3.1402 -0.4125 H 0 0 0 5.5033 -3.6642 -0.5801 H 0 0 0 3.8974 -8.5714 -4.4702 H 0 0 0 2.1914 -7.8750 -5.9101 H 0 0 0 1.5862 -6.3106 -5.8156 H 0 0 0 1 2 1 0 1 3 1 0 1 31 1 0 1 43 1 0 1 59 1 0 2 4 1 0 5 6 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 18 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 30 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 18 35 1 0 18 36 1 0 19 23 1 0 19 20 1 0 20 27 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 23 37 1 0 24 25 1 0 24 29 2 0 25 26 1 0 25 38 1 0 26 27 2 0 26 28 1 0 28 39 1 0 28 40 1 0 30 31 1 0 30 41 1 0 30 42 1 0 44 45 1 0 44 71 1 0 44 72 1 0 44 73 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 49 50 1 0 50 51 1 0 50 74 1 0 50 75 1 0 51 52 1 0 51 57 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 60 1 0 56 57 1 0 56 76 1 0 56 77 1 0 57 58 1 0 57 59 1 0 60 64 1 0 60 61 1 0 61 68 1 0 61 62 2 0 62 63 1 0 62 65 1 0 63 64 2 0 64 78 1 0 65 66 1 0 65 70 2 0 66 67 1 0 66 79 1 0 67 68 2 0 67 69 1 0 69 80 1 0 69 81 1 0 M CHG 4 3 -1 8 -1 43 -1 47 -1 M END $$$$ 5G3G_1p_i001_c003 JHcorina 12120617133D 1 1.00000 2.00000 CORINA 3.20 0003 11.05.2005 81 86 0 1 0 0 0 0 0999 V2000 -0.0595 -0.1257 0.0163 P 0 0 0 -0.8907 0.0565 1.5111 O 0 0 0 0.6569 1.4239 0.2259 O 0 5 0 -0.4006 -0.2737 2.2765 H 0 0 0 -7.1039 0.9492 1.2505 C 0 0 0 -6.3146 -0.2416 1.2847 O 0 0 0 -5.8827 -1.0457 -0.0416 P 0 0 0 -7.1421 -1.6173 -0.7302 O 0 5 0 -5.1557 -0.0874 -1.0111 O 0 0 0 -4.8961 -2.2529 0.3602 O 0 0 0 -4.2560 -3.0892 -0.6057 C 0 0 1 -4.5369 -2.8040 -1.6195 H 0 0 0 -2.7297 -3.0785 -0.4271 C 0 0 2 -2.2314 -3.5733 -1.2607 H 0 0 0 -2.6068 -3.8471 0.7837 O 0 0 0 -3.4542 -4.9789 0.6178 C 0 0 2 -2.8886 -5.8121 0.2006 H 0 0 0 -4.5514 -4.5602 -0.3443 C 0 0 0 -4.0380 -5.3634 1.9053 N 0 0 0 -4.5069 -6.6039 2.2432 C 0 0 0 -4.9661 -6.4996 3.5611 C 0 0 0 -4.7591 -5.2208 3.9592 N 0 0 0 -4.2083 -4.5515 2.9890 C 0 0 0 -5.5132 -7.6478 4.1803 C 0 0 0 -5.5676 -8.7959 3.4694 N 0 0 0 -5.1040 -8.8348 2.1882 C 0 0 0 -4.5939 -7.7750 1.6016 N 0 0 0 -5.1717 -10.0146 1.4906 N 0 0 0 -5.9249 -7.6030 5.3270 O 0 0 0 -2.2041 -1.6539 -0.2389 C 0 0 0 -0.7760 -1.6753 -0.1933 O 0 0 0 -6.5834 1.7136 0.6735 H 0 0 0 -8.0656 0.7343 0.7847 H 0 0 0 -7.2646 1.3078 2.2671 H 0 0 0 -5.5328 -4.6792 0.1147 H 0 0 0 -4.4916 -5.1342 -1.2690 H 0 0 0 -3.9299 -3.5089 3.0336 H 0 0 0 -5.9382 -9.5963 3.8730 H 0 0 0 -5.5455 -10.8053 1.9101 H 0 0 0 -4.8458 -10.0579 0.5781 H 0 0 0 -2.5317 -1.0327 -1.0725 H 0 0 0 -2.5914 -1.2440 0.6939 H 0 0 0 -0.7909 0.4101 -1.4453 O 0 5 0 7.1368 4.5012 -1.9603 C 0 0 0 6.5324 3.2064 -1.9451 O 0 0 0 5.0746 2.9264 -1.3217 P 0 0 0 5.1062 3.1897 0.2004 O 0 5 0 4.0419 3.8644 -1.9854 O 0 0 0 4.6602 1.3944 -1.5928 O 0 0 0 3.3779 0.8632 -1.2529 C 0 0 0 3.3182 -0.6147 -1.6441 C 0 0 1 3.5751 -0.7531 -2.6943 H 0 0 0 4.1598 -1.4135 -0.7923 O 0 0 0 3.7391 -2.7610 -0.9768 C 0 0 2 4.3292 -3.2331 -1.7623 H 0 0 0 2.2799 -2.7050 -1.3841 C 0 0 0 1.9424 -1.2197 -1.3236 C 0 0 1 1.2058 -0.9483 -2.0798 H 0 0 0 1.5031 -0.8437 -0.0168 O 0 0 0 3.8808 -3.5083 0.2752 N 0 0 0 4.0212 -4.8641 0.3971 C 0 0 0 4.1217 -5.1222 1.7690 C 0 0 0 4.0391 -3.9307 2.4095 N 0 0 0 3.9028 -2.9790 1.5331 C 0 0 0 4.2776 -6.4617 2.1962 C 0 0 0 4.3226 -7.4334 1.2580 N 0 0 0 4.2192 -7.1189 -0.0642 C 0 0 0 4.0737 -5.8786 -0.4739 N 0 0 0 4.2687 -8.1265 -0.9946 N 0 0 0 4.3695 -6.7328 3.3813 O 0 0 0 8.1177 4.4388 -2.4315 H 0 0 0 6.5065 5.1898 -2.5230 H 0 0 0 7.2472 4.8626 -0.9379 H 0 0 0 3.2167 0.9618 -0.1794 H 0 0 0 2.6036 1.4124 -1.7886 H 0 0 0 2.1491 -3.0844 -2.3975 H 0 0 0 1.6638 -3.2694 -0.6841 H 0 0 0 3.8173 -1.9279 1.7660 H 0 0 0 4.4292 -8.3593 1.5269 H 0 0 0 4.3758 -9.0468 -0.7076 H 0 0 0 4.1965 -7.9183 -1.9392 H 0 0 0 1 2 1 0 1 3 1 0 1 31 1 0 1 43 1 0 1 59 1 0 2 4 1 0 5 6 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 18 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 30 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 18 35 1 0 18 36 1 0 19 23 1 0 19 20 1 0 20 27 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 23 37 1 0 24 25 1 0 24 29 2 0 25 26 1 0 25 38 1 0 26 27 2 0 26 28 1 0 28 39 1 0 28 40 1 0 30 31 1 0 30 41 1 0 30 42 1 0 44 45 1 0 44 71 1 0 44 72 1 0 44 73 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 49 50 1 0 50 51 1 0 50 74 1 0 50 75 1 0 51 52 1 0 51 57 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 60 1 0 56 57 1 0 56 76 1 0 56 77 1 0 57 58 1 0 57 59 1 0 60 64 1 0 60 61 1 0 61 68 1 0 61 62 2 0 62 63 1 0 62 65 1 0 63 64 2 0 64 78 1 0 65 66 1 0 65 70 2 0 66 67 1 0 66 79 1 0 67 68 2 0 67 69 1 0 69 80 1 0 69 81 1 0 M CHG 4 3 -1 8 -1 43 -1 47 -1 M END $$$$ 5G3G_1p_i001_c004 JHcorina 12120617133D 1 1.00000 4.00000 CORINA 3.20 0003 11.05.2005 81 86 0 1 0 0 0 0 0999 V2000 -1.0090 -0.3430 0.2142 P 0 0 0 -1.1579 1.1229 1.1016 O 0 0 0 -1.0974 0.5400 -1.2592 O 0 5 0 -0.3131 1.5470 1.3052 H 0 0 0 -6.2967 2.4169 3.9519 C 0 0 0 -5.0931 1.7354 4.3110 O 0 0 0 -4.9926 0.1324 4.4216 P 0 0 0 -5.8960 -0.3620 5.5734 O 0 5 0 -5.4565 -0.5056 3.0931 O 0 0 0 -3.4674 -0.2907 4.7164 O 0 0 0 -3.0328 -1.6511 4.7660 C 0 0 1 -3.8610 -2.3383 4.5931 H 0 0 0 -1.8844 -1.9059 3.7970 C 0 0 2 -1.8211 -2.9668 3.5551 H 0 0 0 -0.7148 -1.4857 4.4860 O 0 0 0 -1.0541 -1.1170 5.8274 C 0 0 2 -0.2562 -1.3875 6.5189 H 0 0 0 -2.3101 -1.9622 6.0823 C 0 0 0 -1.3559 0.3139 5.9160 N 0 0 0 -2.0051 0.9420 6.9440 C 0 0 0 -2.0644 2.2963 6.5958 C 0 0 0 -1.4582 2.4287 5.3909 N 0 0 0 -1.0356 1.2651 4.9911 C 0 0 0 -2.6909 3.1978 7.4879 C 0 0 0 -3.2047 2.7093 8.6384 N 0 0 0 -3.1159 1.3790 8.9218 C 0 0 0 -2.5368 0.5312 8.1012 N 0 0 0 -3.6463 0.9113 10.0978 N 0 0 0 -2.7650 4.3861 7.2256 O 0 0 0 -2.0721 -1.0819 2.5215 C 0 0 0 -0.9206 -1.2260 1.6876 O 0 0 0 -6.6149 2.0944 2.9605 H 0 0 0 -7.0763 2.1840 4.6773 H 0 0 0 -6.1171 3.4919 3.9441 H 0 0 0 -2.8685 -1.6003 6.9456 H 0 0 0 -2.0734 -3.0224 6.1729 H 0 0 0 -0.5122 1.0792 4.0649 H 0 0 0 -3.6387 3.3084 9.2658 H 0 0 0 -4.0768 1.5249 10.7136 H 0 0 0 -3.5908 -0.0328 10.3134 H 0 0 0 -2.9541 -1.4351 1.9873 H 0 0 0 -2.2021 -0.0318 2.7832 H 0 0 0 -2.4165 -1.2259 -0.2305 O 0 5 0 5.2631 4.8840 -2.8593 C 0 0 0 4.7217 3.5620 -2.8928 O 0 0 0 3.6291 3.0348 -1.8343 P 0 0 0 4.2559 2.9972 -0.4227 O 0 5 0 2.4126 3.9872 -1.8324 O 0 0 0 3.1510 1.5544 -2.2489 O 0 0 0 2.1096 0.8532 -1.5664 C 0 0 0 1.9099 -0.5190 -2.2131 C 0 0 1 1.8016 -0.4153 -3.2927 H 0 0 0 3.0030 -1.3735 -1.9061 O 0 0 0 2.5174 -2.5726 -1.2922 C 0 0 2 3.1149 -3.4331 -1.5931 H 0 0 0 1.0900 -2.6690 -1.8605 C 0 0 0 0.6870 -1.2102 -1.6220 C 0 0 1 -0.2201 -0.9538 -2.1693 H 0 0 0 0.5475 -0.9259 -0.2285 O 0 0 0 2.4939 -2.4406 0.1666 N 0 0 0 1.8221 -3.2503 1.0419 C 0 0 0 2.0893 -2.7466 2.3200 C 0 0 0 2.8986 -1.6703 2.1671 N 0 0 0 3.1427 -1.4912 0.9018 C 0 0 0 1.5158 -3.3971 3.4376 C 0 0 0 0.7342 -4.4779 3.2197 N 0 0 0 0.5110 -4.9213 1.9502 C 0 0 0 1.0376 -4.3255 0.9037 N 0 0 0 -0.2866 -6.0215 1.7593 N 0 0 0 1.7218 -2.9930 4.5692 O 0 0 0 5.9795 5.0040 -3.6720 H 0 0 0 4.4579 5.6095 -2.9748 H 0 0 0 5.7650 5.0470 -1.9056 H 0 0 0 2.3836 0.7249 -0.5192 H 0 0 0 1.1834 1.4242 -1.6323 H 0 0 0 1.0931 -2.9213 -2.9210 H 0 0 0 0.4715 -3.3583 -1.2857 H 0 0 0 3.7636 -0.7072 0.4941 H 0 0 0 0.3304 -4.9406 3.9705 H 0 0 0 -0.6823 -6.4719 2.5219 H 0 0 0 -0.4547 -6.3489 0.8619 H 0 0 0 1 2 1 0 1 3 1 0 1 31 1 0 1 43 1 0 1 59 1 0 2 4 1 0 5 6 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 18 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 30 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 18 35 1 0 18 36 1 0 19 23 1 0 19 20 1 0 20 27 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 23 37 1 0 24 25 1 0 24 29 2 0 25 26 1 0 25 38 1 0 26 27 2 0 26 28 1 0 28 39 1 0 28 40 1 0 30 31 1 0 30 41 1 0 30 42 1 0 44 45 1 0 44 71 1 0 44 72 1 0 44 73 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 49 50 1 0 50 51 1 0 50 74 1 0 50 75 1 0 51 52 1 0 51 57 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 60 1 0 56 57 1 0 56 76 1 0 56 77 1 0 57 58 1 0 57 59 1 0 60 64 1 0 60 61 1 0 61 68 1 0 61 62 2 0 62 63 1 0 62 65 1 0 63 64 2 0 64 78 1 0 65 66 1 0 65 70 2 0 66 67 1 0 66 79 1 0 67 68 2 0 67 69 1 0 69 80 1 0 69 81 1 0 M CHG 4 3 -1 8 -1 43 -1 47 -1 M END $$$$ 5G3G_1p_i001_c005 JHcorina 12120617133D 1 1.00000 6.00000 CORINA 3.20 0003 11.05.2005 81 86 0 1 0 0 0 0 0999 V2000 -1.2578 0.2357 0.1165 P 0 0 0 -0.5944 1.4947 -0.8495 O 0 0 0 -2.3192 -0.1907 -1.1681 O 0 5 0 0.1632 1.2220 -1.3850 H 0 0 0 -3.7205 6.4997 1.7785 C 0 0 0 -2.4466 5.8523 1.7757 O 0 0 0 -1.8026 5.1782 3.0883 P 0 0 0 -1.5084 6.2731 4.1379 O 0 5 0 -2.7944 4.1515 3.6792 O 0 0 0 -0.4317 4.4331 2.6914 O 0 0 0 0.3248 3.6502 3.6170 C 0 0 1 -0.1490 3.6488 4.5986 H 0 0 0 0.5071 2.2284 3.1016 C 0 0 2 0.2085 1.5114 3.8664 H 0 0 0 1.9004 2.0828 2.8076 O 0 0 0 2.3506 3.4156 2.5094 C 0 0 2 3.4389 3.4754 2.5029 H 0 0 0 1.7586 4.1554 3.7084 C 0 0 0 1.7855 3.9007 1.2478 N 0 0 0 1.2957 5.1563 1.0101 C 0 0 0 0.8671 5.1600 -0.3221 C 0 0 0 1.1116 3.9262 -0.8268 N 0 0 0 1.6569 3.1849 0.0929 C 0 0 0 0.3072 6.3470 -0.8499 C 0 0 0 0.2114 7.4259 -0.0417 N 0 0 0 0.6468 7.3605 1.2483 C 0 0 0 1.1685 6.2636 1.7506 N 0 0 0 0.5374 8.4720 2.0457 N 0 0 0 -0.0791 6.3957 -2.0052 O 0 0 0 -0.3222 2.0183 1.8332 C 0 0 0 -0.1964 0.6620 1.4011 O 0 0 0 -4.4897 5.7868 2.0755 H 0 0 0 -3.7041 7.3311 2.4832 H 0 0 0 -3.9396 6.8750 0.7789 H 0 0 0 1.8111 5.2359 3.5750 H 0 0 0 2.2320 3.8483 4.6410 H 0 0 0 1.9599 2.1565 -0.0373 H 0 0 0 -0.1687 8.2511 -0.3814 H 0 0 0 0.1546 9.2888 1.6892 H 0 0 0 0.8429 8.4408 2.9658 H 0 0 0 -1.3692 2.2370 2.0432 H 0 0 0 0.0379 2.6843 1.0491 H 0 0 0 -2.6112 0.5515 1.1299 O 0 5 0 6.6720 -3.8931 1.1336 C 0 0 0 5.4626 -3.8139 0.3766 O 0 0 0 4.1251 -3.1104 0.9319 P 0 0 0 3.5920 -3.9036 2.1459 O 0 5 0 4.4462 -1.6622 1.3638 O 0 0 0 3.0085 -3.0896 -0.2278 O 0 0 0 1.7449 -2.4389 -0.0800 C 0 0 0 0.9295 -2.6109 -1.3631 C 0 0 1 1.4983 -2.2474 -2.2189 H 0 0 0 0.5882 -3.9887 -1.5483 O 0 0 0 -0.7002 -4.1313 -0.9256 C 0 0 2 -1.1749 -5.0718 -1.2052 H 0 0 0 -1.4186 -2.9346 -1.5546 C 0 0 0 -0.3886 -1.8557 -1.2512 C 0 0 1 -0.4396 -1.0539 -1.9878 H 0 0 0 -0.5678 -1.3392 0.0690 O 0 0 0 -0.6078 -3.9965 0.5302 N 0 0 0 0.3097 -4.6053 1.3429 C 0 0 0 0.0142 -4.1854 2.6448 C 0 0 0 -1.0527 -3.3534 2.5667 N 0 0 0 -1.4174 -3.2361 1.3234 C 0 0 0 0.8140 -4.6647 3.7087 C 0 0 0 1.8293 -5.5082 3.4187 N 0 0 0 2.0675 -5.8811 2.1294 C 0 0 0 1.3316 -5.4431 1.1324 N 0 0 0 3.1058 -6.7385 1.8649 N 0 0 0 0.5930 -4.3250 4.8585 O 0 0 0 7.4327 -4.4117 0.5499 H 0 0 0 7.0189 -2.8873 1.3705 H 0 0 0 6.4871 -4.4408 2.0577 H 0 0 0 1.2039 -2.8815 0.7564 H 0 0 0 1.9029 -1.3773 0.1105 H 0 0 0 -1.5539 -3.0684 -2.6278 H 0 0 0 -2.3677 -2.7321 -1.0583 H 0 0 0 -2.2392 -2.6299 0.9719 H 0 0 0 2.3915 -5.8497 4.1315 H 0 0 0 3.6578 -7.0701 2.5903 H 0 0 0 3.2877 -7.0129 0.9524 H 0 0 0 1 2 1 0 1 3 1 0 1 31 1 0 1 43 1 0 1 59 1 0 2 4 1 0 5 6 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 18 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 30 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 18 35 1 0 18 36 1 0 19 23 1 0 19 20 1 0 20 27 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 23 37 1 0 24 25 1 0 24 29 2 0 25 26 1 0 25 38 1 0 26 27 2 0 26 28 1 0 28 39 1 0 28 40 1 0 30 31 1 0 30 41 1 0 30 42 1 0 44 45 1 0 44 71 1 0 44 72 1 0 44 73 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 49 50 1 0 50 51 1 0 50 74 1 0 50 75 1 0 51 52 1 0 51 57 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 60 1 0 56 57 1 0 56 76 1 0 56 77 1 0 57 58 1 0 57 59 1 0 60 64 1 0 60 61 1 0 61 68 1 0 61 62 2 0 62 63 1 0 62 65 1 0 63 64 2 0 64 78 1 0 65 66 1 0 65 70 2 0 66 67 1 0 66 79 1 0 67 68 2 0 67 69 1 0 69 80 1 0 69 81 1 0 M CHG 4 3 -1 8 -1 43 -1 47 -1 M END $$$$ 5G3G_1p_i001_c006 JHcorina 12120617133D 1 1.00000 6.00000 CORINA 3.20 0003 11.05.2005 81 86 0 1 0 0 0 0 0999 V2000 -0.0595 -0.1257 0.0163 P 0 0 0 -0.7623 0.3358 1.5168 O 0 0 0 0.6535 1.4328 -0.1291 O 0 5 0 -0.2046 0.1524 2.2853 H 0 0 0 -6.8107 -1.6576 -4.0639 C 0 0 0 -6.0475 -1.5147 -2.8642 O 0 0 0 -5.7774 -2.7326 -1.8464 P 0 0 0 -7.1152 -3.1882 -1.2220 O 0 5 0 -5.1387 -3.9123 -2.6128 O 0 0 0 -4.7790 -2.2465 -0.6807 O 0 0 0 -4.2639 -3.1268 0.3202 C 0 0 1 -4.6431 -4.1406 0.1914 H 0 0 0 -2.7220 -3.0983 0.3627 C 0 0 2 -2.3001 -3.7335 -0.4162 H 0 0 0 -2.4454 -3.6323 1.6621 O 0 0 0 -3.5524 -3.4457 2.5274 C 0 0 2 -4.0016 -4.4057 2.7816 H 0 0 0 -4.5377 -2.5962 1.7350 C 0 0 0 -3.1369 -2.7417 3.7431 N 0 0 0 -3.7672 -2.7819 4.9572 C 0 0 0 -3.0185 -1.9635 5.8106 C 0 0 0 -1.9829 -1.4702 5.0887 N 0 0 0 -2.0470 -1.9306 3.8736 C 0 0 0 -3.4433 -1.8156 7.1517 C 0 0 0 -4.5554 -2.4729 7.5488 N 0 0 0 -5.2427 -3.2561 6.6701 C 0 0 0 -4.8586 -3.4014 5.4216 N 0 0 0 -6.3683 -3.9120 7.1015 N 0 0 0 -2.8214 -1.1130 7.9302 O 0 0 0 -2.1995 -1.6659 0.2360 C 0 0 0 -0.7725 -1.6842 0.1617 O 0 0 0 -6.3392 -2.3996 -4.7082 H 0 0 0 -7.8211 -1.9819 -3.8152 H 0 0 0 -6.8538 -0.7003 -4.5833 H 0 0 0 -4.2989 -1.5356 1.8144 H 0 0 0 -5.5663 -2.7896 2.0395 H 0 0 0 -1.3445 -1.7030 3.0855 H 0 0 0 -4.8659 -2.3871 8.4637 H 0 0 0 -6.6642 -3.8146 8.0201 H 0 0 0 -6.8680 -4.4729 6.4879 H 0 0 0 -2.6045 -1.2099 -0.6674 H 0 0 0 -2.5106 -1.0874 1.1059 H 0 0 0 -0.9194 0.1308 -1.4511 O 0 5 0 8.8269 2.1124 -0.0497 C 0 0 0 7.6632 1.5997 -0.7016 O 0 0 0 6.6115 0.6202 0.0241 P 0 0 0 7.3031 -0.7199 0.3602 O 0 5 0 6.1070 1.2803 1.3267 O 0 0 0 5.3648 0.3492 -0.9579 O 0 0 0 4.2122 -0.3984 -0.5644 C 0 0 0 3.2245 -0.4647 -1.7310 C 0 0 1 2.9877 0.5356 -2.0936 H 0 0 0 3.7378 -1.2826 -2.7883 O 0 0 0 3.2634 -2.6129 -2.6690 C 0 0 2 2.5894 -2.8508 -3.4920 H 0 0 0 2.5153 -2.6484 -1.3439 C 0 0 0 1.9424 -1.2197 -1.3236 C 0 0 1 1.1510 -1.0945 -2.0626 H 0 0 0 1.5031 -0.8437 -0.0168 O 0 0 0 4.3855 -3.5544 -2.6433 N 0 0 0 4.3398 -4.8777 -2.9894 C 0 0 0 5.6371 -5.3710 -2.8094 C 0 0 0 6.4012 -4.3420 -2.3690 N 0 0 0 5.6689 -3.2708 -2.2756 C 0 0 0 5.8892 -6.7332 -3.0958 C 0 0 0 4.8635 -7.4979 -3.5311 N 0 0 0 3.6210 -6.9594 -3.6866 C 0 0 0 3.3738 -5.6955 -3.4237 N 0 0 0 2.5987 -7.7598 -4.1307 N 0 0 0 7.0042 -7.2054 -2.9537 O 0 0 0 9.3797 2.7488 -0.7407 H 0 0 0 8.5282 2.6954 0.8215 H 0 0 0 9.4604 1.2840 0.2673 H 0 0 0 4.5123 -1.4083 -0.2846 H 0 0 0 3.7367 0.0884 0.2871 H 0 0 0 1.7207 -3.3945 -1.3565 H 0 0 0 3.1952 -2.8148 -0.5085 H 0 0 0 6.0228 -2.3028 -1.9528 H 0 0 0 5.0122 -8.4347 -3.7341 H 0 0 0 2.7656 -8.6946 -4.3289 H 0 0 0 1.7090 -7.3909 -4.2464 H 0 0 0 1 2 1 0 1 3 1 0 1 31 1 0 1 43 1 0 1 59 1 0 2 4 1 0 5 6 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 18 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 30 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 18 35 1 0 18 36 1 0 19 23 1 0 19 20 1 0 20 27 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 23 37 1 0 24 25 1 0 24 29 2 0 25 26 1 0 25 38 1 0 26 27 2 0 26 28 1 0 28 39 1 0 28 40 1 0 30 31 1 0 30 41 1 0 30 42 1 0 44 45 1 0 44 71 1 0 44 72 1 0 44 73 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 49 50 1 0 50 51 1 0 50 74 1 0 50 75 1 0 51 52 1 0 51 57 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 60 1 0 56 57 1 0 56 76 1 0 56 77 1 0 57 58 1 0 57 59 1 0 60 64 1 0 60 61 1 0 61 68 1 0 61 62 2 0 62 63 1 0 62 65 1 0 63 64 2 0 64 78 1 0 65 66 1 0 65 70 2 0 66 67 1 0 66 79 1 0 67 68 2 0 67 69 1 0 69 80 1 0 69 81 1 0 M CHG 4 3 -1 8 -1 43 -1 47 -1 M END $$$$ 5G3G_1p_i001_c007 JHcorina 12120617133D 1 1.00000 8.00000 CORINA 3.20 0003 11.05.2005 81 86 0 1 0 0 0 0 0999 V2000 -0.9488 -1.9518 -0.0651 P 0 0 0 -1.2851 -0.5336 -0.9783 O 0 0 0 -0.8731 -2.8693 -1.5180 O 0 5 0 -0.5032 -0.0026 -1.1825 H 0 0 0 2.5586 -2.9468 4.8492 C 0 0 0 1.3234 -2.6466 4.1964 O 0 0 0 0.2058 -1.6802 4.8360 P 0 0 0 -0.3578 -2.3251 6.1219 O 0 5 0 0.8416 -0.3149 5.1806 O 0 0 0 -0.9872 -1.4646 3.7766 O 0 0 0 -2.0805 -0.5735 4.0063 C 0 0 1 -1.9969 -0.0871 4.9781 H 0 0 0 -2.2152 0.4518 2.8758 C 0 0 2 -1.4474 1.2224 2.9450 H 0 0 0 -3.5166 0.9797 3.1839 O 0 0 0 -4.3461 -0.1696 3.3823 C 0 0 2 -5.1012 0.0387 4.1403 H 0 0 0 -3.4209 -1.2835 3.8513 C 0 0 0 -4.9905 -0.5503 2.1229 N 0 0 0 -5.5944 0.2973 1.2342 C 0 0 0 -6.0635 -0.5063 0.1888 C 0 0 0 -5.7291 -1.7861 0.4840 N 0 0 0 -5.0930 -1.8143 1.6185 C 0 0 0 -6.7404 0.1116 -0.8887 C 0 0 0 -6.9037 1.4528 -0.8595 N 0 0 0 -6.4238 2.1820 0.1873 C 0 0 0 -5.7937 1.6199 1.1945 N 0 0 0 -6.6039 3.5425 0.1898 N 0 0 0 -7.1656 -0.5494 -1.8208 O 0 0 0 -2.1967 -0.2254 1.5039 C 0 0 0 -1.0245 -1.0343 1.3878 O 0 0 0 3.1154 -2.0245 5.0152 H 0 0 0 2.3563 -3.4264 5.8069 H 0 0 0 3.1464 -3.6184 4.2235 H 0 0 0 -3.3557 -2.0739 3.1035 H 0 0 0 -3.7579 -1.6863 4.8064 H 0 0 0 -4.7064 -2.7049 2.0915 H 0 0 0 -7.3643 1.8988 -1.5874 H 0 0 0 -7.0670 3.9717 -0.5465 H 0 0 0 -6.2681 4.0748 0.9278 H 0 0 0 -3.0824 -0.8514 1.3958 H 0 0 0 -2.1920 0.5354 0.7233 H 0 0 0 -2.2400 -2.9418 0.4928 O 0 5 0 7.4169 0.3006 3.4436 C 0 0 0 6.5271 0.0663 2.3503 O 0 0 0 5.4829 -1.1587 2.3164 P 0 0 0 6.2577 -2.4949 2.2803 O 0 5 0 4.5941 -1.1128 3.5793 O 0 0 0 4.5577 -1.0392 1.0043 O 0 0 0 3.4629 -1.9191 0.7411 C 0 0 0 2.8014 -1.5286 -0.5821 C 0 0 1 2.5819 -0.4613 -0.6127 H 0 0 0 3.6015 -1.9314 -1.7067 O 0 0 0 3.5299 -3.3608 -1.7203 C 0 0 2 3.5606 -3.7285 -2.7460 H 0 0 0 2.1998 -3.7255 -1.0715 C 0 0 0 1.5451 -2.3647 -0.8462 C 0 0 1 1.0188 -2.0232 -1.7376 H 0 0 0 0.6787 -2.3801 0.2901 O 0 0 0 4.6388 -3.9290 -0.9498 N 0 0 0 5.9546 -3.5621 -1.0341 C 0 0 0 6.6418 -4.3687 -0.1199 C 0 0 0 5.7277 -5.1770 0.4699 N 0 0 0 4.5478 -4.9167 -0.0124 C 0 0 0 8.0410 -4.2055 0.0088 C 0 0 0 8.6519 -3.2759 -0.7587 N 0 0 0 7.9277 -2.5201 -1.6318 C 0 0 0 6.6275 -2.6624 -1.7609 N 0 0 0 8.5748 -1.5834 -2.3980 N 0 0 0 8.6800 -4.8862 0.7929 O 0 0 0 8.0222 1.1831 3.2368 H 0 0 0 6.8395 0.4613 4.3540 H 0 0 0 8.0677 -0.5640 3.5740 H 0 0 0 3.8280 -2.9440 0.6763 H 0 0 0 2.7339 -1.8434 1.5480 H 0 0 0 1.5975 -4.3383 -1.7421 H 0 0 0 2.3599 -4.2388 -0.1233 H 0 0 0 3.6336 -5.4102 0.2828 H 0 0 0 9.6105 -3.1456 -0.6878 H 0 0 0 9.5341 -1.4668 -2.3139 H 0 0 0 8.0730 -1.0380 -3.0238 H 0 0 0 1 2 1 0 1 3 1 0 1 31 1 0 1 43 1 0 1 59 1 0 2 4 1 0 5 6 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 18 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 30 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 18 35 1 0 18 36 1 0 19 23 1 0 19 20 1 0 20 27 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 23 37 1 0 24 25 1 0 24 29 2 0 25 26 1 0 25 38 1 0 26 27 2 0 26 28 1 0 28 39 1 0 28 40 1 0 30 31 1 0 30 41 1 0 30 42 1 0 44 45 1 0 44 71 1 0 44 72 1 0 44 73 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 49 50 1 0 50 51 1 0 50 74 1 0 50 75 1 0 51 52 1 0 51 57 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 60 1 0 56 57 1 0 56 76 1 0 56 77 1 0 57 58 1 0 57 59 1 0 60 64 1 0 60 61 1 0 61 68 1 0 61 62 2 0 62 63 1 0 62 65 1 0 63 64 2 0 64 78 1 0 65 66 1 0 65 70 2 0 66 67 1 0 66 79 1 0 67 68 2 0 67 69 1 0 69 80 1 0 69 81 1 0 M CHG 4 3 -1 8 -1 43 -1 47 -1 M END $$$$ 5G3G_1p_i001_c008 JHcorina 12120617133D 1 1.00000 8.00000 CORINA 3.20 0003 11.05.2005 81 86 0 1 0 0 0 0 0999 V2000 -1.3383 -1.4903 0.3631 P 0 0 0 -1.4282 -0.4433 1.7248 O 0 0 0 -0.9545 -0.1489 -0.6428 O 0 5 0 -0.6081 -0.3893 2.2342 H 0 0 0 -0.5875 -6.5070 -2.0201 C 0 0 0 -1.4406 -5.6715 -1.2350 O 0 0 0 -2.1478 -6.1696 0.1228 P 0 0 0 -3.1503 -7.2992 -0.2031 O 0 5 0 -1.0736 -6.7001 1.0984 O 0 0 0 -2.9298 -4.9380 0.8037 O 0 0 0 -3.5897 -5.0381 2.0673 C 0 0 1 -3.3876 -6.0050 2.5282 H 0 0 0 -3.1603 -3.9055 2.9874 C 0 0 2 -2.2956 -4.1935 3.5852 H 0 0 0 -4.3230 -3.7468 3.8084 O 0 0 0 -5.4066 -3.6682 2.8612 C 0 0 2 -6.3660 -3.8236 3.3546 H 0 0 0 -5.0883 -4.8224 1.9083 C 0 0 0 -5.3895 -2.3856 2.1535 N 0 0 0 -5.1264 -1.1607 2.7044 C 0 0 0 -5.2214 -0.2361 1.6581 C 0 0 0 -5.5330 -0.9291 0.5359 N 0 0 0 -5.6272 -2.1944 0.8232 C 0 0 0 -4.9941 1.1313 1.9403 C 0 0 0 -4.6948 1.4833 3.2103 N 0 0 0 -4.6167 0.5358 4.1870 C 0 0 0 -4.8261 -0.7376 3.9378 N 0 0 0 -4.3105 0.9225 5.4676 N 0 0 0 -5.0659 1.9713 1.0596 O 0 0 0 -2.8731 -2.6306 2.1918 C 0 0 0 -1.7222 -2.8316 1.3691 O 0 0 0 0.3075 -6.7518 -1.4482 H 0 0 0 -1.1158 -7.4247 -2.2787 H 0 0 0 -0.3037 -5.9817 -2.9320 H 0 0 0 -5.3281 -4.5470 0.8813 H 0 0 0 -5.6365 -5.7184 2.1993 H 0 0 0 -5.8610 -2.9762 0.1157 H 0 0 0 -4.5346 2.4149 3.4278 H 0 0 0 -4.1533 1.8587 5.6670 H 0 0 0 -4.2513 0.2597 6.1734 H 0 0 0 -3.7317 -2.3930 1.5637 H 0 0 0 -2.6878 -1.8064 2.8807 H 0 0 0 -2.7433 -1.7961 -0.5807 O 0 5 0 2.2802 0.4101 4.3579 C 0 0 0 1.8969 0.2022 2.9971 O 0 0 0 2.8704 -0.4692 1.9046 P 0 0 0 4.0903 0.4490 1.6683 O 0 5 0 3.3526 -1.8436 2.4200 O 0 0 0 2.0704 -0.6654 0.5213 O 0 0 0 2.6306 -1.3271 -0.6147 C 0 0 0 1.6181 -1.3164 -1.7617 C 0 0 1 1.2854 -0.3009 -1.9768 H 0 0 0 2.1608 -1.9383 -2.9322 O 0 0 0 2.2669 -3.3285 -2.5669 C 0 0 2 2.4039 -3.9529 -3.4498 H 0 0 0 0.9065 -3.5970 -1.9135 C 0 0 0 0.4370 -2.2247 -1.4559 C 0 0 1 -0.4431 -1.9128 -2.0183 H 0 0 0 0.1565 -2.2314 -0.0547 O 0 0 0 3.3581 -3.5356 -1.6115 N 0 0 0 3.3997 -4.4810 -0.6229 C 0 0 0 4.6237 -4.3038 0.0323 C 0 0 0 5.2612 -3.2750 -0.5776 N 0 0 0 4.5214 -2.8247 -1.5484 C 0 0 0 4.9417 -5.1569 1.1150 C 0 0 0 4.0471 -6.1062 1.4682 N 0 0 0 2.8707 -6.2296 0.7909 C 0 0 0 2.5634 -5.4432 -0.2163 N 0 0 0 1.9816 -7.2031 1.1716 N 0 0 0 5.9968 -5.0388 1.7143 O 0 0 0 1.4577 0.8769 4.8998 H 0 0 0 2.5209 -0.5483 4.8180 H 0 0 0 3.1543 1.0602 4.3939 H 0 0 0 3.5378 -0.8093 -0.9260 H 0 0 0 2.8719 -2.3572 -0.3527 H 0 0 0 0.2100 -4.0172 -2.6391 H 0 0 0 1.0173 -4.2673 -1.0611 H 0 0 0 4.7870 -2.0089 -2.2043 H 0 0 0 4.2433 -6.7031 2.2073 H 0 0 0 2.1944 -7.7912 1.9130 H 0 0 0 1.1403 -7.3031 0.6992 H 0 0 0 1 2 1 0 1 3 1 0 1 31 1 0 1 43 1 0 1 59 1 0 2 4 1 0 5 6 1 0 5 32 1 0 5 33 1 0 5 34 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 18 1 0 11 13 1 0 13 14 1 0 13 15 1 0 13 30 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 18 35 1 0 18 36 1 0 19 23 1 0 19 20 1 0 20 27 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 23 37 1 0 24 25 1 0 24 29 2 0 25 26 1 0 25 38 1 0 26 27 2 0 26 28 1 0 28 39 1 0 28 40 1 0 30 31 1 0 30 41 1 0 30 42 1 0 44 45 1 0 44 71 1 0 44 72 1 0 44 73 1 0 45 46 1 0 46 47 1 0 46 48 2 0 46 49 1 0 49 50 1 0 50 51 1 0 50 74 1 0 50 75 1 0 51 52 1 0 51 57 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 60 1 0 56 57 1 0 56 76 1 0 56 77 1 0 57 58 1 0 57 59 1 0 60 64 1 0 60 61 1 0 61 68 1 0 61 62 2 0 62 63 1 0 62 65 1 0 63 64 2 0 64 78 1 0 65 66 1 0 65 70 2 0 66 67 1 0 66 79 1 0 67 68 2 0 67 69 1 0 69 80 1 0 69 81 1 0 M CHG 4 3 -1 8 -1 43 -1 47 -1 M END $$$$ 5T3T_1p_i001_c001 JHcorina 12120617133D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.0074 0.2191 0.1610 P 0 0 0 1.0953 1.5354 -0.0445 O 0 0 0 -0.3026 0.7273 1.7747 O 0 5 0 1.9208 1.2977 -0.4885 H 0 0 0 6.6464 1.1365 -3.3847 C 0 0 0 5.7434 0.9126 -4.5702 C 0 0 0 6.2466 1.0326 -5.8881 C 0 0 0 5.4199 0.8272 -6.9333 N 0 0 0 4.1283 0.5111 -6.7246 C 0 0 0 3.6377 0.3941 -5.4773 N 0 0 0 4.4449 0.5894 -4.3898 C 0 0 0 2.2274 0.0493 -5.2816 C 0 0 1 2.0101 -0.9226 -5.7246 H 0 0 0 1.9015 0.0447 -3.8746 O 0 0 0 0.4661 0.1937 -3.8160 C 0 0 2 -0.0231 -0.7554 -4.0347 H 0 0 0 0.1325 1.2347 -4.9075 C 0 0 2 -0.8019 0.9784 -5.4069 H 0 0 0 1.3178 1.1361 -5.8965 C 0 0 0 0.0538 2.5449 -4.3426 O 0 0 0 -1.2777 3.4479 -4.4042 P 0 0 0 -1.5896 3.8060 -5.8744 O 0 5 0 -2.4629 2.6594 -3.8036 O 0 0 0 -1.0492 4.7993 -3.5595 O 0 0 0 -2.0821 5.7611 -3.3354 C 0 0 0 0.0397 0.7068 -2.4392 C 0 0 0 0.3174 -0.2890 -1.4527 O 0 0 0 3.3944 0.3292 -7.6768 O 0 0 0 7.4153 1.3190 -6.0759 O 0 0 0 7.1123 0.1932 -3.0996 H 0 0 0 7.4194 1.8585 -3.6480 H 0 0 0 6.0608 1.5197 -2.5491 H 0 0 0 5.7572 0.9079 -7.8391 H 0 0 0 4.0443 0.4894 -3.3918 H 0 0 0 1.8460 2.0878 -5.9552 H 0 0 0 0.9700 0.8297 -6.8830 H 0 0 0 -2.9078 5.2898 -2.8022 H 0 0 0 -1.6885 6.5850 -2.7402 H 0 0 0 -2.4379 6.1419 -4.2927 H 0 0 0 0.5924 1.6162 -2.2031 H 0 0 0 -1.0287 0.9227 -2.4468 H 0 0 0 3.4717 -7.4529 0.9992 C 0 0 0 2.0367 -7.0335 0.8101 C 0 0 0 1.1777 -7.7765 -0.0352 C 0 0 0 -0.1026 -7.3824 -0.1887 N 0 0 0 -0.5589 -6.2926 0.4561 C 0 0 0 0.2472 -5.5779 1.2622 N 0 0 0 1.5514 -5.9474 1.4488 C 0 0 0 -0.2778 -4.3960 1.9505 C 0 0 1 -1.1005 -4.6753 2.6086 H 0 0 0 0.7696 -3.7458 2.7029 O 0 0 0 0.3056 -2.3940 2.9109 C 0 0 2 -0.4286 -2.3645 3.7161 H 0 0 0 -0.3492 -1.9909 1.5711 C 0 0 2 -1.2343 -1.3795 1.7473 H 0 0 0 -0.7446 -3.3395 0.9247 C 0 0 0 0.5855 -1.2909 0.7476 O 0 0 0 1.4825 -1.4702 3.2305 C 0 0 0 2.0442 -1.8336 4.4932 O 0 0 0 3.3029 -1.0705 5.1454 P 0 0 0 4.5511 -1.2870 4.2610 O 0 5 0 2.9957 0.4406 5.2414 O 0 0 0 3.5810 -1.6563 6.6190 O 0 0 0 4.5682 -1.1141 7.4985 C 0 0 0 -1.7157 -5.9489 0.3078 O 0 0 0 1.5915 -8.7622 -0.6186 O 0 0 0 3.5404 -8.1447 1.8387 H 0 0 0 3.8293 -7.9434 0.0939 H 0 0 0 4.0835 -6.5738 1.2020 H 0 0 0 -0.6971 -7.8861 -0.7664 H 0 0 0 2.1907 -5.3707 2.1008 H 0 0 0 -0.2264 -3.4739 -0.0248 H 0 0 0 -1.8239 -3.3953 0.7831 H 0 0 0 2.2414 -1.5666 2.4540 H 0 0 0 1.1338 -0.4383 3.2715 H 0 0 0 4.3377 -0.0686 7.7031 H 0 0 0 4.5698 -1.6753 8.4330 H 0 0 0 5.5500 -1.1848 7.0305 H 0 0 0 -1.6586 0.4129 -0.2200 O 0 5 0 1 2 1 0 1 3 1 0 1 27 1 0 1 57 1 0 1 79 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 26 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 1 0 24 25 1 0 25 37 1 0 25 38 1 0 25 39 1 0 26 27 1 0 26 40 1 0 26 41 1 0 42 43 1 0 42 67 1 0 42 68 1 0 42 69 1 0 43 48 2 0 43 44 1 0 44 45 1 0 44 66 2 0 45 46 1 0 45 70 1 0 46 47 1 0 46 65 2 0 47 48 1 0 47 49 1 0 48 71 1 0 49 50 1 0 49 56 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 58 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 72 1 0 56 73 1 0 58 59 1 0 58 74 1 0 58 75 1 0 59 60 1 0 60 61 1 0 60 62 2 0 60 63 1 0 63 64 1 0 64 76 1 0 64 77 1 0 64 78 1 0 M CHG 4 3 -1 22 -1 61 -1 79 -1 M END $$$$ 5T3T_1p_i001_c002 JHcorina 12120617133D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.0074 0.2191 0.1610 P 0 0 0 1.0473 1.5428 -0.1925 O 0 0 0 -0.0874 0.7315 1.8002 O 0 5 0 1.7739 1.3230 -0.7916 H 0 0 0 5.8729 -0.4797 -4.7442 C 0 0 0 4.7314 -0.2401 -5.6985 C 0 0 0 4.9837 0.0303 -7.0651 C 0 0 0 3.9463 0.2410 -7.9003 N 0 0 0 2.6831 0.1946 -7.4382 C 0 0 0 2.4299 -0.0613 -6.1418 N 0 0 0 3.4543 -0.2859 -5.2628 C 0 0 0 1.0444 -0.1050 -5.6679 C 0 0 1 0.4814 -0.8850 -6.1805 H 0 0 0 0.9911 -0.2816 -4.2404 O 0 0 0 -0.3252 0.0963 -3.8247 C 0 0 2 -0.9852 -0.7711 -3.8336 H 0 0 0 -0.8086 1.1366 -4.8377 C 0 0 2 -1.7031 0.7837 -5.3509 H 0 0 0 0.3608 1.2674 -5.8271 C 0 0 0 -1.0629 2.3854 -4.1912 O 0 0 0 -2.5080 3.0952 -4.1926 P 0 0 0 -2.8833 3.4965 -5.6366 O 0 5 0 -3.5647 2.1129 -3.6399 O 0 0 0 -2.4608 4.4104 -3.2651 O 0 0 0 -3.6151 5.2023 -2.9783 C 0 0 0 -0.2797 0.7084 -2.4232 C 0 0 0 0.1022 -0.2932 -1.4782 O 0 0 0 1.7576 0.3870 -8.2029 O 0 0 0 6.1270 0.0725 -7.4824 O 0 0 0 6.1125 -1.5429 -4.7240 H 0 0 0 6.7461 0.0834 -5.0735 H 0 0 0 5.5856 -0.1530 -3.7448 H 0 0 0 4.1112 0.4271 -8.8379 H 0 0 0 3.2424 -0.4948 -4.2246 H 0 0 0 1.0315 2.0751 -5.5342 H 0 0 0 0.0000 1.4091 -6.8459 H 0 0 0 -4.3610 4.5881 -2.4739 H 0 0 0 -3.3336 6.0348 -2.3335 H 0 0 0 -4.0313 5.5882 -3.9089 H 0 0 0 0.4466 1.5209 -2.4050 H 0 0 0 -1.2650 1.0958 -2.1638 H 0 0 0 1.9602 -8.5698 2.0386 C 0 0 0 0.7837 -7.7599 1.5579 C 0 0 0 -0.1701 -8.3310 0.6813 C 0 0 0 -1.2147 -7.5871 0.2648 N 0 0 0 -1.3486 -6.3135 0.6791 C 0 0 0 -0.4491 -5.7591 1.5120 N 0 0 0 0.6223 -6.4817 1.9618 C 0 0 0 -0.6211 -4.3703 1.9454 C 0 0 1 -1.5587 -4.2441 2.4868 H 0 0 0 0.4975 -3.9336 2.7390 O 0 0 0 0.4553 -2.5032 2.7634 C 0 0 2 -0.1279 -2.1594 3.6176 H 0 0 0 -0.2195 -2.0756 1.4581 C 0 0 2 -1.1375 -1.5254 1.6647 H 0 0 0 -0.5376 -3.4020 0.7489 C 0 0 0 0.6711 -1.2841 0.6692 O 0 0 0 1.8744 -1.9354 2.8324 C 0 0 0 2.4651 -2.2808 4.0869 O 0 0 0 3.9586 -1.8459 4.5022 P 0 0 0 4.9752 -2.5354 3.5651 O 0 5 0 4.1017 -0.3125 4.3784 O 0 0 0 4.2436 -2.2904 6.0232 O 0 0 0 5.4451 -1.9546 6.7200 C 0 0 0 -2.2955 -5.6546 0.2949 O 0 0 0 -0.0480 -9.4833 0.3066 O 0 0 0 1.6922 -9.0889 2.9588 H 0 0 0 2.2347 -9.2993 1.2767 H 0 0 0 2.8045 -7.9070 2.2281 H 0 0 0 -1.8722 -7.9713 -0.3361 H 0 0 0 1.3375 -6.0305 2.6336 H 0 0 0 0.2680 -3.6854 0.0715 H 0 0 0 -1.4902 -3.3478 0.2220 H 0 0 0 2.4724 -2.3524 2.0221 H 0 0 0 1.8367 -0.8504 2.7350 H 0 0 0 5.5443 -0.8704 6.7716 H 0 0 0 5.4064 -2.3644 7.7293 H 0 0 0 6.3012 -2.3730 6.1906 H 0 0 0 -1.6962 0.3987 0.0063 O 0 5 0 1 2 1 0 1 3 1 0 1 27 1 0 1 57 1 0 1 79 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 26 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 1 0 24 25 1 0 25 37 1 0 25 38 1 0 25 39 1 0 26 27 1 0 26 40 1 0 26 41 1 0 42 43 1 0 42 67 1 0 42 68 1 0 42 69 1 0 43 48 2 0 43 44 1 0 44 45 1 0 44 66 2 0 45 46 1 0 45 70 1 0 46 47 1 0 46 65 2 0 47 48 1 0 47 49 1 0 48 71 1 0 49 50 1 0 49 56 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 58 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 72 1 0 56 73 1 0 58 59 1 0 58 74 1 0 58 75 1 0 59 60 1 0 60 61 1 0 60 62 2 0 60 63 1 0 63 64 1 0 64 76 1 0 64 77 1 0 64 78 1 0 M CHG 4 3 -1 22 -1 61 -1 79 -1 M END $$$$ 5T3T_1p_i001_c003 JHcorina 12120617133D 1 1.00000 2.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.0074 0.2191 0.1610 P 0 0 0 1.0659 1.5417 -0.1369 O 0 0 0 -0.2935 0.8169 1.7455 O 0 5 0 1.8884 1.2948 -0.5815 H 0 0 0 6.2006 2.0803 -3.7907 C 0 0 0 5.3798 1.4332 -4.8764 C 0 0 0 5.8454 1.4151 -6.2133 C 0 0 0 5.0940 0.8299 -7.1677 N 0 0 0 3.9123 0.2684 -6.8514 C 0 0 0 3.4586 0.2789 -5.5848 N 0 0 0 4.1932 0.8580 -4.5862 C 0 0 0 2.1683 -0.3399 -5.2711 C 0 0 1 2.1928 -1.4009 -5.5195 H 0 0 0 1.8663 -0.1678 -3.8906 O 0 0 0 0.4358 -0.0297 -3.8115 C 0 0 2 -0.0634 -0.9797 -4.0023 H 0 0 0 0.1921 0.9664 -4.9560 C 0 0 2 -0.8576 0.9820 -5.2492 H 0 0 0 1.0593 0.3496 -6.0411 C 0 0 0 0.6491 2.2752 -4.6094 O 0 0 0 -0.3223 3.5581 -4.5575 P 0 0 0 -0.8512 3.8613 -5.9772 O 0 5 0 -1.5121 3.2654 -3.6164 O 0 0 0 0.4971 4.8299 -4.0071 O 0 0 0 -0.1130 6.0956 -3.7468 C 0 0 0 0.0096 0.5549 -2.4633 C 0 0 0 0.3083 -0.3786 -1.4235 O 0 0 0 3.2453 -0.2554 -7.7227 O 0 0 0 6.9145 1.9237 -6.4986 O 0 0 0 6.8743 1.3421 -3.3557 H 0 0 0 6.7829 2.8986 -4.2143 H 0 0 0 5.5382 2.4683 -3.0169 H 0 0 0 5.4061 0.8137 -8.0860 H 0 0 0 3.8238 0.8585 -3.5713 H 0 0 0 1.4669 1.1233 -6.6918 H 0 0 0 0.4876 -0.3741 -6.6221 H 0 0 0 -0.8911 5.9757 -2.9930 H 0 0 0 0.6405 6.7943 -3.3832 H 0 0 0 -0.5538 6.4823 -4.6657 H 0 0 0 0.5496 1.4844 -2.2833 H 0 0 0 -1.0620 0.7539 -2.4760 H 0 0 0 4.8540 -4.7415 -0.3435 C 0 0 0 3.3780 -5.0340 -0.2606 C 0 0 0 2.7618 -5.8889 -1.2060 C 0 0 0 1.4397 -6.1363 -1.1115 N 0 0 0 0.7133 -5.5752 -0.1270 C 0 0 0 1.2868 -4.7610 0.7776 N 0 0 0 2.6265 -4.4886 0.7197 C 0 0 0 0.4702 -4.1645 1.8376 C 0 0 1 0.0256 -4.9476 2.4518 H 0 0 0 1.2681 -3.3044 2.6440 O 0 0 0 0.4021 -2.2316 3.0574 C 0 0 2 -0.3233 -2.5724 3.7961 H 0 0 0 -0.2797 -1.8984 1.7210 C 0 0 2 -1.1811 -1.3051 1.8746 H 0 0 0 -0.6162 -3.2975 1.2324 C 0 0 0 0.6230 -1.2415 0.8289 O 0 0 0 1.2070 -1.0419 3.5845 C 0 0 0 1.8704 -1.4142 4.7942 O 0 0 0 2.8093 -0.4048 5.6258 P 0 0 0 4.0493 -0.0395 4.7795 O 0 5 0 2.0169 0.8790 5.9590 O 0 0 0 3.2818 -1.1137 6.9919 O 0 0 0 4.0406 -0.4385 7.9970 C 0 0 0 -0.4780 -5.8070 -0.0545 O 0 0 0 3.4198 -6.3958 -2.0966 O 0 0 0 5.4043 -5.4821 0.2368 H 0 0 0 5.1749 -4.7839 -1.3844 H 0 0 0 5.0504 -3.7470 0.0570 H 0 0 0 1.0104 -6.7207 -1.7557 H 0 0 0 3.0800 -3.8373 1.4523 H 0 0 0 -0.5814 -3.3420 0.1439 H 0 0 0 -1.5978 -3.6032 1.5945 H 0 0 0 1.9467 -0.7456 2.8408 H 0 0 0 0.5346 -0.2068 3.7811 H 0 0 0 3.4769 0.4197 8.3627 H 0 0 0 4.2387 -1.1217 8.8229 H 0 0 0 4.9851 -0.0985 7.5722 H 0 0 0 -1.6666 0.3571 -0.2090 O 0 5 0 1 2 1 0 1 3 1 0 1 27 1 0 1 57 1 0 1 79 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 26 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 1 0 24 25 1 0 25 37 1 0 25 38 1 0 25 39 1 0 26 27 1 0 26 40 1 0 26 41 1 0 42 43 1 0 42 67 1 0 42 68 1 0 42 69 1 0 43 48 2 0 43 44 1 0 44 45 1 0 44 66 2 0 45 46 1 0 45 70 1 0 46 47 1 0 46 65 2 0 47 48 1 0 47 49 1 0 48 71 1 0 49 50 1 0 49 56 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 58 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 72 1 0 56 73 1 0 58 59 1 0 58 74 1 0 58 75 1 0 59 60 1 0 60 61 1 0 60 62 2 0 60 63 1 0 63 64 1 0 64 76 1 0 64 77 1 0 64 78 1 0 M CHG 4 3 -1 22 -1 61 -1 79 -1 M END $$$$ 5T3T_1p_i001_c004 JHcorina 12120617133D 1 1.00000 4.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.0074 0.2191 0.1610 P 0 0 0 0.8659 1.6909 -0.0745 O 0 0 0 -0.0144 0.5033 1.8572 O 0 5 0 1.6618 1.5996 -0.6160 H 0 0 0 2.6923 4.3142 -1.9277 C 0 0 0 2.3228 4.0411 -3.3629 C 0 0 0 2.4841 5.0445 -4.3485 C 0 0 0 2.1471 4.7769 -5.6264 N 0 0 0 1.6620 3.5668 -5.9609 C 0 0 0 1.5039 2.6047 -5.0337 N 0 0 0 1.8388 2.8343 -3.7270 C 0 0 0 0.9730 1.2974 -5.4278 C 0 0 1 1.6231 0.8212 -6.1617 H 0 0 0 0.7894 0.4547 -4.2847 O 0 0 0 -0.5329 0.6077 -3.7873 C 0 0 2 -1.0951 -0.3174 -3.9148 H 0 0 0 -1.1490 1.7217 -4.6253 C 0 0 2 -2.2312 1.6145 -4.6983 H 0 0 0 -0.4627 1.4275 -5.9679 C 0 0 0 -0.7870 3.0117 -4.1284 O 0 0 0 -1.8686 4.0922 -3.6236 P 0 0 0 -2.7474 4.5361 -4.8142 O 0 5 0 -2.7608 3.4572 -2.5336 O 0 0 0 -1.1049 5.3716 -3.0138 O 0 0 0 -1.7872 6.4597 -2.3874 C 0 0 0 -0.5027 1.0103 -2.3116 C 0 0 0 0.0292 -0.0650 -1.5352 O 0 0 0 1.3619 3.3399 -7.1171 O 0 0 0 2.9227 6.1393 -4.0450 O 0 0 0 3.7378 4.0519 -1.7654 H 0 0 0 2.5450 5.3719 -1.7095 H 0 0 0 2.0614 3.7163 -1.2700 H 0 0 0 2.2544 5.4593 -6.3073 H 0 0 0 1.7128 2.0553 -2.9896 H 0 0 0 -0.5587 2.2601 -6.6647 H 0 0 0 -0.8159 0.4942 -6.4064 H 0 0 0 -2.3471 6.0911 -1.5279 H 0 0 0 -1.0608 7.2020 -2.0566 H 0 0 0 -2.4743 6.9162 -3.0999 H 0 0 0 0.1252 1.8927 -2.1884 H 0 0 0 -1.5150 1.2350 -1.9755 H 0 0 0 5.0093 -0.9009 -0.7578 C 0 0 0 3.8179 -1.7493 -1.1209 C 0 0 0 3.3704 -1.8210 -2.4622 C 0 0 0 2.3024 -2.5871 -2.7632 N 0 0 0 1.6684 -3.2770 -1.7969 C 0 0 0 2.0837 -3.2173 -0.5186 N 0 0 0 3.1664 -2.4556 -0.1723 C 0 0 0 1.3731 -3.9790 0.5115 C 0 0 1 1.4075 -5.0469 0.2959 H 0 0 0 1.9071 -3.7026 1.8111 O 0 0 0 1.1871 -2.6306 2.4041 C 0 0 2 0.6323 -2.9821 3.2740 H 0 0 0 0.2272 -2.1474 1.3234 C 0 0 2 -0.6693 -1.7027 1.7555 H 0 0 0 -0.0811 -3.4929 0.6491 C 0 0 0 0.8688 -1.2473 0.4177 O 0 0 0 2.1431 -1.5051 2.8046 C 0 0 0 3.0004 -1.9592 3.8539 O 0 0 0 4.1349 -1.0326 4.5221 P 0 0 0 5.2118 -0.6954 3.4669 O 0 5 0 3.4936 0.2744 5.0393 O 0 0 0 4.8153 -1.8195 5.7509 O 0 0 0 5.7870 -1.2246 6.6135 C 0 0 0 0.7065 -3.9634 -2.0832 O 0 0 0 3.9443 -1.1962 -3.3358 O 0 0 0 5.9182 -1.4969 -0.8395 H 0 0 0 5.0702 -0.0505 -1.4369 H 0 0 0 4.9011 -0.5416 0.2655 H 0 0 0 1.9896 -2.6411 -3.6798 H 0 0 0 3.4960 -2.4165 0.8554 H 0 0 0 -0.5572 -3.3612 -0.3225 H 0 0 0 -0.6659 -4.1453 1.2976 H 0 0 0 2.7450 -1.2159 1.9431 H 0 0 0 1.5683 -0.6462 3.1511 H 0 0 0 5.3518 -0.3550 7.1059 H 0 0 0 6.0981 -1.9500 7.3652 H 0 0 0 6.6522 -0.9151 6.0272 H 0 0 0 -1.7125 0.2139 0.1398 O 0 5 0 1 2 1 0 1 3 1 0 1 27 1 0 1 57 1 0 1 79 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 26 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 1 0 24 25 1 0 25 37 1 0 25 38 1 0 25 39 1 0 26 27 1 0 26 40 1 0 26 41 1 0 42 43 1 0 42 67 1 0 42 68 1 0 42 69 1 0 43 48 2 0 43 44 1 0 44 45 1 0 44 66 2 0 45 46 1 0 45 70 1 0 46 47 1 0 46 65 2 0 47 48 1 0 47 49 1 0 48 71 1 0 49 50 1 0 49 56 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 58 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 72 1 0 56 73 1 0 58 59 1 0 58 74 1 0 58 75 1 0 59 60 1 0 60 61 1 0 60 62 2 0 60 63 1 0 63 64 1 0 64 76 1 0 64 77 1 0 64 78 1 0 M CHG 4 3 -1 22 -1 61 -1 79 -1 M END $$$$ 5T3T_1p_i001_c005 JHcorina 12120617133D 1 1.00000 6.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 -0.5404 -0.0328 -0.5490 P 0 0 0 0.4338 1.3845 -0.5759 O 0 0 0 -1.5735 0.6995 0.6150 O 0 5 0 1.2704 1.2778 -1.0491 H 0 0 0 1.0260 4.4846 -5.4939 C 0 0 0 1.6055 3.4936 -4.5176 C 0 0 0 1.6662 3.7989 -3.1365 C 0 0 0 2.1886 2.8964 -2.2817 N 0 0 0 2.6478 1.7164 -2.7382 C 0 0 0 2.5958 1.4141 -4.0482 N 0 0 0 2.0685 2.3004 -4.9476 C 0 0 0 3.1038 0.1218 -4.5154 C 0 0 1 4.1929 0.1186 -4.5586 H 0 0 0 2.6076 -0.9597 -3.7080 O 0 0 0 1.2091 -1.0227 -4.0066 C 0 0 2 0.8643 -2.0561 -3.9702 H 0 0 0 1.0467 -0.4656 -5.4149 C 0 0 2 0.5367 -1.1822 -6.0588 H 0 0 0 2.4904 -0.2648 -5.8638 C 0 0 0 0.3470 0.7801 -5.3910 O 0 0 0 -1.0497 1.0162 -6.1563 P 0 0 0 -0.8278 0.8996 -7.6808 O 0 5 0 -2.0724 -0.0490 -5.7018 O 0 0 0 -1.6119 2.4837 -5.8065 O 0 0 0 -2.8864 2.9548 -6.2490 C 0 0 0 0.4196 -0.1710 -3.0105 C 0 0 0 0.4928 -0.7651 -1.7129 O 0 0 0 3.1165 0.9124 -1.9557 O 0 0 0 1.2509 4.8670 -2.7244 O 0 0 0 -0.0300 4.2649 -5.6509 H 0 0 0 1.1318 5.4930 -5.0939 H 0 0 0 1.5571 4.4126 -6.4430 H 0 0 0 2.2340 3.0984 -1.3341 H 0 0 0 2.0266 2.0483 -5.9969 H 0 0 0 2.5768 0.5443 -6.5891 H 0 0 0 2.9212 -1.1890 -6.2487 H 0 0 0 -3.6697 2.3057 -5.8575 H 0 0 0 -3.0431 3.9715 -5.8886 H 0 0 0 -2.9185 2.9465 -7.3385 H 0 0 0 0.8431 0.8327 -2.9750 H 0 0 0 -0.6222 -0.1149 -3.3262 H 0 0 0 3.2566 -2.5509 -0.6501 C 0 0 0 2.6979 -2.5967 0.7488 C 0 0 0 3.4851 -2.1808 1.8495 C 0 0 0 2.9637 -2.2303 3.0920 N 0 0 0 1.7064 -2.6712 3.2830 C 0 0 0 0.9481 -3.0692 2.2455 N 0 0 0 1.4380 -3.0297 0.9684 C 0 0 0 -0.4168 -3.5447 2.4846 C 0 0 1 -0.4205 -4.5842 2.8125 H 0 0 0 -1.1114 -2.6982 3.4168 O 0 0 0 -1.3050 -1.4669 2.7131 C 0 0 2 -2.2497 -1.0106 3.0090 H 0 0 0 -1.3355 -1.8206 1.2319 C 0 0 2 -2.2521 -1.4591 0.7658 H 0 0 0 -1.3017 -3.3452 1.2513 C 0 0 0 -0.1869 -1.2983 0.5610 O 0 0 0 -0.1472 -0.5089 3.0007 C 0 0 0 -0.1556 -0.1534 4.3847 O 0 0 0 0.8673 0.9141 5.0221 P 0 0 0 2.3059 0.3551 4.9506 O 0 5 0 0.7894 2.2383 4.2300 O 0 0 0 0.4723 1.1842 6.5593 O 0 0 0 1.1266 2.1615 7.3709 C 0 0 0 1.2497 -2.7106 4.4092 O 0 0 0 4.6227 -1.7824 1.6759 O 0 0 0 3.1038 -1.5567 -1.0699 H 0 0 0 4.3232 -2.7738 -0.6229 H 0 0 0 2.7468 -3.2890 -1.2693 H 0 0 0 3.4970 -1.9473 3.8513 H 0 0 0 0.8213 -3.3471 0.1406 H 0 0 0 -0.8331 -3.7482 0.3535 H 0 0 0 -2.2965 -3.7649 1.4008 H 0 0 0 0.7968 -0.9962 2.7564 H 0 0 0 -0.2598 0.3896 2.3941 H 0 0 0 1.0042 3.1473 6.9222 H 0 0 0 0.6868 2.1591 8.3682 H 0 0 0 2.1880 1.9236 7.4414 H 0 0 0 -1.8680 -0.1845 -1.6319 O 0 5 0 1 2 1 0 1 3 1 0 1 27 1 0 1 57 1 0 1 79 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 26 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 1 0 24 25 1 0 25 37 1 0 25 38 1 0 25 39 1 0 26 27 1 0 26 40 1 0 26 41 1 0 42 43 1 0 42 67 1 0 42 68 1 0 42 69 1 0 43 48 2 0 43 44 1 0 44 45 1 0 44 66 2 0 45 46 1 0 45 70 1 0 46 47 1 0 46 65 2 0 47 48 1 0 47 49 1 0 48 71 1 0 49 50 1 0 49 56 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 58 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 72 1 0 56 73 1 0 58 59 1 0 58 74 1 0 58 75 1 0 59 60 1 0 60 61 1 0 60 62 2 0 60 63 1 0 63 64 1 0 64 76 1 0 64 77 1 0 64 78 1 0 M CHG 4 3 -1 22 -1 61 -1 79 -1 M END $$$$ 5T3T_1p_i001_c006 JHcorina 12120617133D 1 1.00000 6.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.0074 0.2191 0.1610 P 0 0 0 1.0636 1.5228 -0.2175 O 0 0 0 0.0574 0.6611 1.8225 O 0 5 0 1.7735 1.2885 -0.8309 H 0 0 0 4.9681 0.1622 -1.8688 C 0 0 0 4.3623 0.9642 -2.9918 C 0 0 0 5.0614 2.0631 -3.5467 C 0 0 0 4.4995 2.7656 -4.5512 N 0 0 0 3.2853 2.4244 -5.0213 C 0 0 0 2.6108 1.3823 -4.5026 N 0 0 0 3.1481 0.6407 -3.4859 C 0 0 0 1.2907 1.0351 -5.0347 C 0 0 1 1.3646 0.7807 -6.0920 H 0 0 0 0.7325 -0.0443 -4.3051 O 0 0 0 -0.5630 0.3003 -3.8018 C 0 0 2 -1.2397 -0.5526 -3.8549 H 0 0 0 -1.0045 1.4138 -4.7739 C 0 0 2 -1.2801 1.0101 -5.7481 H 0 0 0 0.3180 2.1885 -4.8337 C 0 0 0 -2.0570 2.2073 -4.2218 O 0 0 0 -3.5045 2.3472 -4.9125 P 0 0 0 -3.3586 3.0633 -6.2738 O 0 5 0 -4.1084 0.9421 -5.1320 O 0 0 0 -4.4749 3.2050 -3.9562 O 0 0 0 -5.8592 3.4169 -4.2407 C 0 0 0 -0.4685 0.8289 -2.3691 C 0 0 0 -0.0426 -0.2228 -1.5005 O 0 0 0 2.7910 3.0673 -5.9272 O 0 0 0 6.1597 2.3714 -3.1205 O 0 0 0 5.5590 -0.6545 -2.2833 H 0 0 0 5.6097 0.8062 -1.2675 H 0 0 0 4.1736 -0.2450 -1.2435 H 0 0 0 4.9721 3.5201 -4.9363 H 0 0 0 2.6019 -0.1969 -3.0779 H 0 0 0 0.5137 2.7146 -3.8994 H 0 0 0 0.3356 2.8748 -5.6804 H 0 0 0 -6.3711 2.4560 -4.2905 H 0 0 0 -6.3032 4.0247 -3.4523 H 0 0 0 -5.9590 3.9318 -5.1962 H 0 0 0 0.2514 1.6463 -2.3302 H 0 0 0 -1.4461 1.1902 -2.0500 H 0 0 0 1.0388 -8.4376 3.4412 C 0 0 0 0.1817 -7.6829 2.4579 C 0 0 0 -0.4077 -8.3522 1.3584 C 0 0 0 -1.1711 -7.6561 0.4920 N 0 0 0 -1.3704 -6.3372 0.6716 C 0 0 0 -0.8161 -5.6894 1.7123 N 0 0 0 -0.0390 -6.3603 2.6170 C 0 0 0 -1.0507 -4.2532 1.8814 C 0 0 1 -2.1155 -4.0565 2.0061 H 0 0 0 -0.3242 -3.7621 2.9950 O 0 0 0 0.5065 -2.6603 2.6123 C 0 0 2 0.5288 -1.9008 3.3939 H 0 0 0 -0.2120 -2.1325 1.3532 C 0 0 2 -1.1286 -1.6004 1.6076 H 0 0 0 -0.5055 -3.4828 0.6872 C 0 0 0 0.6541 -1.3258 0.5525 O 0 0 0 1.9218 -3.1351 2.2774 C 0 0 0 2.5505 -3.6309 3.4610 O 0 0 0 4.0511 -4.2139 3.4784 P 0 0 0 4.1146 -5.4983 2.6220 O 0 5 0 5.0200 -3.1596 2.8981 O 0 0 0 4.4760 -4.5572 4.9929 O 0 0 0 5.7878 -4.9949 5.3531 C 0 0 0 -2.0609 -5.7223 -0.1181 O 0 0 0 -0.2265 -9.5455 1.1965 O 0 0 0 0.4133 -8.8266 4.2447 H 0 0 0 1.5327 -9.2653 2.9322 H 0 0 0 1.7902 -7.7669 3.8579 H 0 0 0 -1.5780 -8.1076 -0.2640 H 0 0 0 0.3989 -5.8338 3.4521 H 0 0 0 0.4042 -3.9418 0.3004 H 0 0 0 -1.2565 -3.3815 -0.0963 H 0 0 0 1.8719 -3.9293 1.5325 H 0 0 0 2.5006 -2.3009 1.8808 H 0 0 0 6.5147 -4.2320 5.0743 H 0 0 0 5.8320 -5.1631 6.4291 H 0 0 0 6.0172 -5.9236 4.8305 H 0 0 0 -1.6955 0.4604 0.1480 O 0 5 0 1 2 1 0 1 3 1 0 1 27 1 0 1 57 1 0 1 79 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 26 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 1 0 24 25 1 0 25 37 1 0 25 38 1 0 25 39 1 0 26 27 1 0 26 40 1 0 26 41 1 0 42 43 1 0 42 67 1 0 42 68 1 0 42 69 1 0 43 48 2 0 43 44 1 0 44 45 1 0 44 66 2 0 45 46 1 0 45 70 1 0 46 47 1 0 46 65 2 0 47 48 1 0 47 49 1 0 48 71 1 0 49 50 1 0 49 56 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 58 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 72 1 0 56 73 1 0 58 59 1 0 58 74 1 0 58 75 1 0 59 60 1 0 60 61 1 0 60 62 2 0 60 63 1 0 63 64 1 0 64 76 1 0 64 77 1 0 64 78 1 0 M CHG 4 3 -1 22 -1 61 -1 79 -1 M END $$$$ 5T3T_1p_i001_c007 JHcorina 12120617133D 1 1.00000 8.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.6088 -0.1440 0.1091 P 0 0 0 1.5333 1.3064 0.1024 O 0 0 0 -0.4898 0.5614 1.2288 O 0 5 0 2.4108 1.2117 -0.2926 H 0 0 0 0.3709 3.8853 -3.4782 C 0 0 0 0.0198 2.5560 -4.0952 C 0 0 0 -1.3185 2.2610 -4.4502 C 0 0 0 -1.6086 1.0650 -5.0012 N 0 0 0 -0.6341 0.1607 -5.2115 C 0 0 0 0.6416 0.4288 -4.8786 N 0 0 0 0.9785 1.6325 -4.3219 C 0 0 0 1.6807 -0.5756 -5.1191 C 0 0 1 1.8623 -0.6766 -6.1891 H 0 0 0 2.8889 -0.2057 -4.4468 O 0 0 0 2.8107 -0.8442 -3.1609 C 0 0 2 3.7762 -0.8380 -2.6550 H 0 0 0 2.4200 -2.2589 -3.6007 C 0 0 2 3.2319 -2.7477 -4.1392 H 0 0 0 1.2610 -1.9168 -4.5290 C 0 0 0 1.9829 -3.0488 -2.4930 O 0 0 0 2.7096 -4.4154 -2.0496 P 0 0 0 2.5510 -5.4694 -3.1680 O 0 5 0 4.2111 -4.1447 -1.8061 O 0 0 0 2.0368 -4.9656 -0.6943 O 0 0 0 2.5283 -6.1073 0.0107 C 0 0 0 1.7255 -0.2100 -2.2885 C 0 0 0 1.7074 -0.8494 -1.0107 O 0 0 0 -0.9106 -0.9138 -5.7089 O 0 0 0 -2.1997 3.0796 -4.2592 O 0 0 0 0.6865 4.5765 -4.2597 H 0 0 0 -0.5021 4.2901 -2.9661 H 0 0 0 1.1821 3.7510 -2.7627 H 0 0 0 -2.5233 0.8554 -5.2468 H 0 0 0 2.0055 1.8415 -4.0614 H 0 0 0 0.3319 -1.8185 -3.9675 H 0 0 0 1.1581 -2.6684 -5.3116 H 0 0 0 3.5587 -5.9289 0.3178 H 0 0 0 1.9117 -6.2832 0.8921 H 0 0 0 2.4892 -6.9808 -0.6402 H 0 0 0 1.9366 0.8517 -2.1606 H 0 0 0 0.7551 -0.3321 -2.7697 H 0 0 0 2.5951 -7.3402 3.8523 C 0 0 0 1.5916 -6.3372 4.3605 C 0 0 0 1.4218 -6.1340 5.7512 C 0 0 0 0.5182 -5.2308 6.1824 N 0 0 0 -0.2151 -4.5295 5.2980 C 0 0 0 -0.0633 -4.7133 3.9738 N 0 0 0 0.8465 -5.6165 3.4954 C 0 0 0 -0.8761 -3.9355 3.0354 C 0 0 1 -1.7390 -4.5195 2.7155 H 0 0 0 -1.3062 -2.7161 3.6490 O 0 0 0 -0.2969 -1.7506 3.3077 C 0 0 2 -0.6349 -0.7343 3.5100 H 0 0 0 -0.1893 -2.0138 1.8022 C 0 0 2 -1.0960 -1.7108 1.2785 H 0 0 0 -0.0396 -3.5301 1.8275 C 0 0 0 0.9666 -1.3868 1.2430 O 0 0 0 1.0227 -2.0470 4.0230 C 0 0 0 0.8490 -1.8799 5.4315 O 0 0 0 2.0661 -1.9683 6.4817 P 0 0 0 2.6538 -3.3971 6.4700 O 0 5 0 3.1640 -0.9566 6.0840 O 0 0 0 1.5268 -1.6219 7.9586 O 0 0 0 2.3859 -1.5138 9.0954 C 0 0 0 -1.0264 -3.7187 5.7014 O 0 0 0 2.0854 -6.7692 6.5507 O 0 0 0 3.5795 -6.8751 3.8008 H 0 0 0 2.6312 -8.1932 4.5299 H 0 0 0 2.3002 -7.6777 2.8587 H 0 0 0 0.3959 -5.0861 7.1337 H 0 0 0 0.9652 -5.7550 2.4309 H 0 0 0 1.0037 -3.8133 1.9668 H 0 0 0 -0.4383 -3.9728 0.9148 H 0 0 0 1.3273 -3.0724 3.8135 H 0 0 0 1.7909 -1.3601 3.6677 H 0 0 0 3.1181 -0.7248 8.9237 H 0 0 0 1.7927 -1.2732 9.9776 H 0 0 0 2.9023 -2.4609 9.2520 H 0 0 0 -0.6736 -0.3516 -1.0183 O 0 5 0 1 2 1 0 1 3 1 0 1 27 1 0 1 57 1 0 1 79 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 26 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 1 0 24 25 1 0 25 37 1 0 25 38 1 0 25 39 1 0 26 27 1 0 26 40 1 0 26 41 1 0 42 43 1 0 42 67 1 0 42 68 1 0 42 69 1 0 43 48 2 0 43 44 1 0 44 45 1 0 44 66 2 0 45 46 1 0 45 70 1 0 46 47 1 0 46 65 2 0 47 48 1 0 47 49 1 0 48 71 1 0 49 50 1 0 49 56 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 58 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 72 1 0 56 73 1 0 58 59 1 0 58 74 1 0 58 75 1 0 59 60 1 0 60 61 1 0 60 62 2 0 60 63 1 0 63 64 1 0 64 76 1 0 64 77 1 0 64 78 1 0 M CHG 4 3 -1 22 -1 61 -1 79 -1 M END $$$$ 5T3T_1p_i001_c008 JHcorina 12120617133D 1 1.00000 8.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 -2.9838 -1.1641 -1.3623 P 0 0 0 -3.1821 0.0708 -2.5431 O 0 0 0 -4.5191 -0.7713 -0.6938 O 0 5 0 -2.3641 0.3162 -2.9967 H 0 0 0 -5.4254 -5.1563 -3.9664 C 0 0 0 -4.4720 -4.1389 -4.5383 C 0 0 0 -4.9306 -2.8486 -4.8974 C 0 0 0 -4.0591 -1.9547 -5.4068 N 0 0 0 -2.7653 -2.2870 -5.5719 C 0 0 0 -2.3169 -3.5098 -5.2346 N 0 0 0 -3.1679 -4.4440 -4.7098 C 0 0 0 -0.9031 -3.8427 -5.4264 C 0 0 1 -0.7419 -4.2899 -6.4073 H 0 0 0 -0.0726 -2.6780 -5.2499 O 0 0 0 -0.1093 -2.4410 -3.8379 C 0 0 2 0.6507 -1.7176 -3.5427 H 0 0 0 0.2100 -3.8232 -3.2890 C 0 0 2 1.2880 -3.9721 -3.2267 H 0 0 0 -0.4048 -4.7720 -4.3137 C 0 0 0 -0.3960 -4.0086 -2.0082 O 0 0 0 0.4393 -4.4167 -0.6937 P 0 0 0 1.0648 -5.8151 -0.8945 O 0 5 0 1.5602 -3.3809 -0.4536 O 0 0 0 -0.5452 -4.4470 0.5798 O 0 0 0 -0.1224 -4.8603 1.8808 C 0 0 0 -1.5000 -1.9829 -3.3940 C 0 0 0 -1.4486 -1.5569 -2.0309 O 0 0 0 -1.9909 -1.4708 -6.0328 O 0 0 0 -6.1015 -2.5488 -4.7480 O 0 0 0 -5.3867 -5.1188 -2.8777 H 0 0 0 -6.4383 -4.9339 -4.3019 H 0 0 0 -5.1406 -6.1522 -4.3059 H 0 0 0 -4.3658 -1.0687 -5.6555 H 0 0 0 -2.7991 -5.4219 -4.4377 H 0 0 0 -1.2362 -5.3243 -3.8759 H 0 0 0 0.3477 -5.4602 -4.6987 H 0 0 0 0.6356 -4.1708 2.2525 H 0 0 0 -0.9768 -4.8602 2.5576 H 0 0 0 0.2966 -5.8650 1.8246 H 0 0 0 -1.8270 -1.1540 -4.0216 H 0 0 0 -2.2029 -2.8105 -3.4897 H 0 0 0 -0.8428 4.1796 3.8507 C 0 0 0 -0.6132 2.6939 3.7457 C 0 0 0 0.7022 2.1736 3.6880 C 0 0 0 0.8830 0.8407 3.5947 N 0 0 0 -0.1779 0.0132 3.5567 C 0 0 0 -1.4330 0.4950 3.6107 N 0 0 0 -1.6592 1.8408 3.7109 C 0 0 0 -2.5679 -0.4303 3.5669 C 0 0 1 -2.7176 -0.9031 4.5375 H 0 0 0 -3.7653 0.2455 3.1345 O 0 0 0 -3.5446 0.4749 1.7381 C 0 0 2 -4.4642 0.7865 1.2427 H 0 0 0 -3.1116 -0.9053 1.2676 C 0 0 2 -3.9796 -1.5167 1.0206 H 0 0 0 -2.3721 -1.4836 2.4705 C 0 0 0 -2.2355 -0.8021 0.1434 O 0 0 0 -2.4323 1.5024 1.5195 C 0 0 0 -2.3512 1.8284 0.1305 O 0 0 0 -1.3692 2.9659 -0.4473 P 0 0 0 -1.8300 4.3505 0.0602 O 0 5 0 0.0733 2.6945 0.0349 O 0 0 0 -1.4103 2.9434 -2.0567 O 0 0 0 -0.5682 3.7645 -2.8683 C 0 0 0 0.0004 -1.1865 3.4720 O 0 0 0 1.6615 2.9230 3.7220 O 0 0 0 -0.9613 4.4557 4.8985 H 0 0 0 0.0114 4.7099 3.4296 H 0 0 0 -1.7444 4.4478 3.3000 H 0 0 0 1.7812 0.4767 3.5544 H 0 0 0 -2.6697 2.2191 3.7580 H 0 0 0 -1.3129 -1.6098 2.2462 H 0 0 0 -2.8128 -2.4343 2.7705 H 0 0 0 -2.6523 2.4035 2.0920 H 0 0 0 -1.4815 1.0846 1.8507 H 0 0 0 0.4761 3.5331 -2.6585 H 0 0 0 -0.7786 3.5726 -3.9204 H 0 0 0 -0.7598 4.8140 -2.6449 H 0 0 0 -3.5340 -2.7610 -1.6874 O 0 5 0 1 2 1 0 1 3 1 0 1 27 1 0 1 57 1 0 1 79 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 26 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 1 0 24 25 1 0 25 37 1 0 25 38 1 0 25 39 1 0 26 27 1 0 26 40 1 0 26 41 1 0 42 43 1 0 42 67 1 0 42 68 1 0 42 69 1 0 43 48 2 0 43 44 1 0 44 45 1 0 44 66 2 0 45 46 1 0 45 70 1 0 46 47 1 0 46 65 2 0 47 48 1 0 47 49 1 0 48 71 1 0 49 50 1 0 49 56 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 58 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 72 1 0 56 73 1 0 58 59 1 0 58 74 1 0 58 75 1 0 59 60 1 0 60 61 1 0 60 62 2 0 60 63 1 0 63 64 1 0 64 76 1 0 64 77 1 0 64 78 1 0 M CHG 4 3 -1 22 -1 61 -1 79 -1 M END $$$$ 5T3T_2p_i001_c001 JHcorina 12120617133D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 -0.0714 -0.0232 0.1801 P 0 0 0 -0.0021 1.6847 0.3713 O 0 0 0 -1.7663 0.0131 0.4707 O 0 5 0 0.8962 2.0375 0.4327 H 0 0 0 7.7590 -2.5686 -1.6674 C 0 0 0 7.0309 -2.4655 -0.3520 C 0 0 0 7.1732 -3.4774 0.6278 C 0 0 0 6.5122 -3.3633 1.7976 N 0 0 0 5.7248 -2.2969 2.0306 C 0 0 0 5.5812 -1.3284 1.1078 N 0 0 0 6.2386 -1.4040 -0.0899 C 0 0 0 4.7168 -0.1798 1.3898 C 0 0 1 5.0805 0.3627 2.2625 H 0 0 0 4.6546 0.6962 0.2432 O 0 0 0 3.4509 1.4738 0.4233 C 0 0 2 3.6187 2.2703 1.1482 H 0 0 0 2.4083 0.4685 0.9606 C 0 0 2 1.7679 0.9431 1.7041 H 0 0 0 3.2608 -0.6447 1.6140 C 0 0 0 1.6235 -0.0594 -0.1106 O 0 0 0 2.9903 2.0594 -0.9130 C 0 0 0 3.9697 2.9837 -1.3909 O 0 0 0 3.8123 3.7903 -2.7754 P 0 0 0 3.8315 2.7946 -3.9566 O 0 5 0 2.4732 4.5608 -2.7731 O 0 0 0 5.0304 4.8315 -2.9314 O 0 0 0 5.1198 5.7694 -4.0058 C 0 0 0 5.1347 -2.2077 3.0899 O 0 0 0 7.8855 -4.4422 0.4160 O 0 0 0 8.7366 -2.0947 -1.5797 H 0 0 0 7.8865 -3.6185 -1.9308 H 0 0 0 7.1804 -2.0670 -2.4432 H 0 0 0 6.6044 -4.0527 2.4737 H 0 0 0 6.1213 -0.6203 -0.8237 H 0 0 0 3.0845 -1.6000 1.1197 H 0 0 0 3.0433 -0.7190 2.6795 H 0 0 0 2.8650 1.2554 -1.6382 H 0 0 0 2.0402 2.5757 -0.7752 H 0 0 0 6.0278 6.3623 -3.8959 H 0 0 0 5.1485 5.2334 -4.9545 H 0 0 0 4.2514 6.4278 -3.9866 H 0 0 0 0.1404 -1.0505 1.5432 O 0 5 0 -0.9934 3.6563 -6.5124 C 0 0 0 -1.5891 2.3136 -6.8489 C 0 0 0 -2.2069 2.0972 -8.1042 C 0 0 0 -2.7326 0.8872 -8.3830 N 0 0 0 -2.6701 -0.1050 -7.4757 C 0 0 0 -2.0857 0.0878 -6.2792 N 0 0 0 -1.5358 1.2992 -5.9593 C 0 0 0 -2.0333 -1.0111 -5.3118 C 0 0 1 -1.4781 -1.8532 -5.7249 H 0 0 0 -1.4280 -0.5665 -4.0782 O 0 0 0 -1.8641 -1.5124 -3.0778 C 0 0 2 -1.2841 -2.4327 -3.1473 H 0 0 0 -3.3474 -1.7850 -3.4124 C 0 0 2 -3.5924 -2.8324 -3.2364 H 0 0 0 -3.4613 -1.4496 -4.9181 C 0 0 0 -4.1991 -0.9363 -2.6401 O 0 0 0 -5.3048 -1.5018 -1.6155 P 0 0 0 -6.3893 -2.2717 -2.4017 O 0 5 0 -4.6297 -2.4534 -0.6028 O 0 0 0 -5.9840 -0.2733 -0.8271 O 0 0 0 -6.9311 -0.4538 0.2276 C 0 0 0 -1.7339 -0.9063 -1.6790 C 0 0 0 -0.3525 -0.7038 -1.3743 O 0 0 0 -3.1488 -1.1908 -7.7409 O 0 0 0 -2.2634 2.9956 -8.9243 O 0 0 0 0.0499 3.6801 -6.8272 H 0 0 0 -1.5471 4.4395 -7.0302 H 0 0 0 -1.0521 3.8205 -5.4364 H 0 0 0 -3.1579 0.7313 -9.2408 H 0 0 0 -1.0648 1.4445 -4.9983 H 0 0 0 -4.1680 -0.6347 -5.0751 H 0 0 0 -3.7604 -2.3306 -5.4859 H 0 0 0 -7.2464 0.5196 0.6033 H 0 0 0 -7.7979 -0.9953 -0.1511 H 0 0 0 -6.4713 -1.0233 1.0353 H 0 0 0 -2.2569 0.0495 -1.6470 H 0 0 0 -2.1718 -1.5848 -0.9468 H 0 0 0 1 2 1 0 1 3 1 0 1 20 1 0 1 42 1 0 1 65 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 21 22 1 0 21 37 1 0 21 38 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 1 0 26 27 1 0 27 39 1 0 27 40 1 0 27 41 1 0 43 44 1 0 43 68 1 0 43 69 1 0 43 70 1 0 44 49 2 0 44 45 1 0 45 46 1 0 45 67 2 0 46 47 1 0 46 71 1 0 47 48 1 0 47 66 2 0 48 49 1 0 48 50 1 0 49 72 1 0 50 51 1 0 50 57 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 64 1 0 55 56 1 0 55 57 1 0 55 58 1 0 57 73 1 0 57 74 1 0 58 59 1 0 59 60 1 0 59 61 2 0 59 62 1 0 62 63 1 0 63 75 1 0 63 76 1 0 63 77 1 0 64 65 1 0 64 78 1 0 64 79 1 0 M CHG 4 3 -1 24 -1 42 -1 60 -1 M END $$$$ 5T3T_2p_i001_c002 JHcorina 12120617133D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 0.8567 2.1210 0.0053 H 0 0 0 9.1471 0.0110 1.2042 C 0 0 0 7.9233 -0.2848 2.0324 C 0 0 0 7.9820 -1.2259 3.0884 C 0 0 0 6.8743 -1.4739 3.8160 N 0 0 0 5.7237 -0.8322 3.5402 C 0 0 0 5.6547 0.0644 2.5394 N 0 0 0 6.7575 0.3483 1.7807 C 0 0 0 4.3883 0.7468 2.2626 C 0 0 1 4.0605 1.3258 3.1260 H 0 0 0 4.4934 1.5778 1.0920 O 0 0 0 3.1576 1.8623 0.6642 C 0 0 2 2.8006 2.7793 1.1331 H 0 0 0 2.3049 0.6738 1.1143 C 0 0 2 1.5302 1.0001 1.8082 H 0 0 0 3.3030 -0.2559 1.8234 C 0 0 0 1.7218 0.0193 -0.0143 O 0 0 0 3.1096 1.9972 -0.8591 C 0 0 0 3.8493 3.1528 -1.2584 O 0 0 0 4.0113 3.6021 -2.7960 P 0 0 0 4.8162 2.5299 -3.5638 O 0 5 0 2.6142 3.7549 -3.4377 O 0 0 0 4.7902 5.0094 -2.8646 O 0 0 0 4.9988 5.7249 -4.0839 C 0 0 0 4.7327 -1.0662 4.2046 O 0 0 0 9.0233 -1.8064 3.3370 O 0 0 0 9.7057 0.8283 1.6605 H 0 0 0 9.7769 -0.8774 1.1564 H 0 0 0 8.8439 0.2960 0.1968 H 0 0 0 6.9065 -2.1176 4.5409 H 0 0 0 6.6948 1.0724 0.9819 H 0 0 0 3.7088 -0.9937 1.1312 H 0 0 0 2.8451 -0.7399 2.6861 H 0 0 0 3.5472 1.1098 -1.3163 H 0 0 0 2.0737 2.0993 -1.1824 H 0 0 0 5.5473 6.6438 -3.8768 H 0 0 0 5.5729 5.1068 -4.7742 H 0 0 0 4.0352 5.9698 -4.5308 H 0 0 0 0.0280 -0.8720 1.4868 O 0 5 0 0.6312 2.9101 -6.9161 C 0 0 0 -0.1720 1.6721 -7.2213 C 0 0 0 -0.7763 1.5038 -8.4905 C 0 0 0 -1.4899 0.3875 -8.7408 N 0 0 0 -1.6260 -0.5576 -7.7921 C 0 0 0 -1.0568 -0.4097 -6.5820 N 0 0 0 -0.3203 0.7059 -6.2898 C 0 0 0 -1.2228 -1.4553 -5.5694 C 0 0 1 -0.8082 -2.4022 -5.9151 H 0 0 0 -0.6352 -1.0600 -4.3163 O 0 0 0 -1.1881 -1.9154 -3.3109 C 0 0 2 -0.5630 -2.7994 -3.1850 H 0 0 0 -2.5764 -2.3189 -3.8127 C 0 0 2 -2.6379 -3.3997 -3.9397 H 0 0 0 -2.7038 -1.6112 -5.1715 C 0 0 0 -3.5872 -1.8632 -2.9112 O 0 0 0 -4.6055 -2.8585 -2.1598 P 0 0 0 -5.5130 -3.5497 -3.2018 O 0 5 0 -3.8031 -3.9281 -1.3857 O 0 0 0 -5.5142 -2.0191 -1.1294 O 0 0 0 -6.4453 -2.6320 -0.2353 C 0 0 0 -1.3066 -1.1616 -1.9847 C 0 0 0 -0.0005 -0.8560 -1.4922 O 0 0 0 -2.2727 -1.5589 -8.0319 O 0 0 0 -0.6530 2.3596 -9.3482 O 0 0 0 1.6731 2.7438 -7.1896 H 0 0 0 0.2353 3.7500 -7.4871 H 0 0 0 0.5661 3.1320 -5.8510 H 0 0 0 -1.9072 0.2651 -9.6079 H 0 0 0 0.1368 0.8150 -5.3175 H 0 0 0 -3.1840 -0.6389 -5.0617 H 0 0 0 -3.2388 -2.2323 -5.8899 H 0 0 0 -6.9388 -1.8627 0.3587 H 0 0 0 -7.1912 -3.1825 -0.8086 H 0 0 0 -5.9163 -3.3181 0.4261 H 0 0 0 -1.8617 -0.2366 -2.1409 H 0 0 0 -1.8323 -1.7827 -1.2595 H 0 0 0 1 2 1 0 1 3 1 0 1 20 1 0 1 42 1 0 1 65 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 21 22 1 0 21 37 1 0 21 38 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 1 0 26 27 1 0 27 39 1 0 27 40 1 0 27 41 1 0 43 44 1 0 43 68 1 0 43 69 1 0 43 70 1 0 44 49 2 0 44 45 1 0 45 46 1 0 45 67 2 0 46 47 1 0 46 71 1 0 47 48 1 0 47 66 2 0 48 49 1 0 48 50 1 0 49 72 1 0 50 51 1 0 50 57 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 64 1 0 55 56 1 0 55 57 1 0 55 58 1 0 57 73 1 0 57 74 1 0 58 59 1 0 59 60 1 0 59 61 2 0 59 62 1 0 62 63 1 0 63 75 1 0 63 76 1 0 63 77 1 0 64 65 1 0 64 78 1 0 64 79 1 0 M CHG 4 3 -1 24 -1 42 -1 60 -1 M END $$$$ 5T3T_2p_i001_c003 JHcorina 12120617133D 1 1.00000 2.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 -0.0608 -0.1167 0.2177 P 0 0 0 -0.1743 1.5993 0.1893 O 0 0 0 -1.7698 -0.2271 0.3769 O 0 5 0 0.6811 2.0502 0.1977 H 0 0 0 5.4420 -2.9468 -2.8551 C 0 0 0 5.2500 -2.8643 -1.3626 C 0 0 0 5.3603 -4.0254 -0.5600 C 0 0 0 5.1850 -3.9270 0.7733 N 0 0 0 4.9076 -2.7357 1.3350 C 0 0 0 4.8002 -1.6250 0.5834 N 0 0 0 4.9761 -1.6813 -0.7724 C 0 0 0 4.4970 -0.3425 1.2232 C 0 0 1 5.2800 -0.0870 1.9371 H 0 0 0 4.3802 0.6794 0.2389 O 0 0 0 3.3792 1.5902 0.7291 C 0 0 2 3.7542 2.1731 1.5704 H 0 0 0 2.2989 0.5945 1.1799 C 0 0 2 1.5771 1.0690 1.8446 H 0 0 0 3.1555 -0.4153 1.9257 C 0 0 0 1.6483 -0.0063 0.0584 O 0 0 0 2.8661 2.5022 -0.3871 C 0 0 0 3.9321 3.3328 -0.8514 O 0 0 0 3.7498 4.4187 -2.0260 P 0 0 0 3.4212 3.6943 -3.3506 O 0 5 0 2.5953 5.3796 -1.6644 O 0 0 0 5.1130 5.2580 -2.1973 O 0 0 0 5.2370 6.3676 -3.0892 C 0 0 0 4.7516 -2.6624 2.5386 O 0 0 0 5.6109 -5.1029 -1.0691 O 0 0 0 6.4941 -2.7935 -3.0951 H 0 0 0 5.1281 -3.9291 -3.2080 H 0 0 0 4.8425 -2.1773 -3.3415 H 0 0 0 5.2587 -4.7181 1.3299 H 0 0 0 4.8923 -0.7843 -1.3681 H 0 0 0 2.7309 -1.4155 1.8401 H 0 0 0 3.2549 -0.1325 2.9737 H 0 0 0 2.4942 1.8936 -1.2113 H 0 0 0 2.0592 3.1268 -0.0038 H 0 0 0 6.2481 6.7703 -3.0298 H 0 0 0 5.0364 6.0383 -4.1088 H 0 0 0 4.5210 7.1404 -2.8095 H 0 0 0 0.1320 -0.9412 1.7148 O 0 5 0 -1.9067 2.6272 -6.7312 C 0 0 0 -1.9847 1.1440 -6.9862 C 0 0 0 -2.4183 0.6538 -8.2416 C 0 0 0 -2.4795 -0.6775 -8.4467 N 0 0 0 -2.1314 -1.5316 -7.4665 C 0 0 0 -1.7177 -1.0786 -6.2690 N 0 0 0 -1.6366 0.2649 -6.0223 C 0 0 0 -1.3459 -2.0326 -5.2213 C 0 0 1 -0.5126 -2.6499 -5.5570 H 0 0 0 -0.9909 -1.3375 -4.0307 O 0 0 0 -1.4143 -2.1761 -2.9402 C 0 0 2 -0.7771 -3.0557 -2.8485 H 0 0 0 -2.8240 -2.5578 -3.4184 C 0 0 2 -3.2062 -3.4202 -2.8723 H 0 0 0 -2.5328 -2.9073 -4.8684 C 0 0 0 -3.7209 -1.4494 -3.3228 O 0 0 0 -5.0529 -1.4747 -2.4189 P 0 0 0 -6.0363 -2.5260 -2.9801 O 0 5 0 -4.6816 -1.8413 -0.9647 O 0 0 0 -5.7473 -0.0223 -2.4456 O 0 0 0 -6.8925 0.3074 -1.6571 C 0 0 0 -1.4640 -1.3933 -1.6265 C 0 0 0 -0.1401 -1.0082 -1.2511 O 0 0 0 -2.1920 -2.7295 -7.6657 O 0 0 0 -2.7334 1.4273 -9.1278 O 0 0 0 -0.9190 2.9928 -7.0123 H 0 0 0 -2.6655 3.1381 -7.3239 H 0 0 0 -2.0791 2.8235 -5.6730 H 0 0 0 -2.7759 -1.0210 -9.3041 H 0 0 0 -1.2995 0.6203 -5.0598 H 0 0 0 -3.3882 -2.6670 -5.4998 H 0 0 0 -2.2743 -3.9619 -4.9631 H 0 0 0 -7.1773 1.3426 -1.8452 H 0 0 0 -7.7192 -0.3510 -1.9239 H 0 0 0 -6.6546 0.1822 -0.6008 H 0 0 0 -2.0781 -0.5023 -1.7575 H 0 0 0 -1.8952 -2.0202 -0.8461 H 0 0 0 1 2 1 0 1 3 1 0 1 20 1 0 1 42 1 0 1 65 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 21 22 1 0 21 37 1 0 21 38 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 1 0 26 27 1 0 27 39 1 0 27 40 1 0 27 41 1 0 43 44 1 0 43 68 1 0 43 69 1 0 43 70 1 0 44 49 2 0 44 45 1 0 45 46 1 0 45 67 2 0 46 47 1 0 46 71 1 0 47 48 1 0 47 66 2 0 48 49 1 0 48 50 1 0 49 72 1 0 50 51 1 0 50 57 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 64 1 0 55 56 1 0 55 57 1 0 55 58 1 0 57 73 1 0 57 74 1 0 58 59 1 0 59 60 1 0 59 61 2 0 59 62 1 0 62 63 1 0 63 75 1 0 63 76 1 0 63 77 1 0 64 65 1 0 64 78 1 0 64 79 1 0 M CHG 4 3 -1 24 -1 42 -1 60 -1 M END $$$$ 5T3T_2p_i001_c004 JHcorina 12120617133D 1 1.00000 4.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 -0.0662 -0.0216 0.2050 P 0 0 0 0.0799 1.6806 0.4039 O 0 0 0 -1.7641 0.0950 0.4539 O 0 5 0 0.9934 1.9940 0.4526 H 0 0 0 2.7163 -0.8929 -4.1548 C 0 0 0 2.8087 -1.6080 -2.8315 C 0 0 0 2.2430 -2.8958 -2.6710 C 0 0 0 2.3386 -3.5165 -1.4778 N 0 0 0 2.9661 -2.9163 -0.4493 C 0 0 0 3.5078 -1.6927 -0.5888 N 0 0 0 3.4370 -1.0314 -1.7847 C 0 0 0 4.1843 -1.0647 0.5488 C 0 0 1 5.0310 -1.6678 0.8765 H 0 0 0 4.6003 0.2666 0.2246 O 0 0 0 3.5814 1.1869 0.5913 C 0 0 2 3.9255 1.8302 1.4011 H 0 0 0 2.4139 0.3257 1.0584 C 0 0 2 1.7978 0.8505 1.7886 H 0 0 0 3.2004 -0.8231 1.7079 C 0 0 0 1.6317 -0.1381 -0.0438 O 0 0 0 3.1671 2.0304 -0.6160 C 0 0 0 4.2739 2.8272 -1.0428 O 0 0 0 4.1955 3.8395 -2.2923 P 0 0 0 3.9678 3.0364 -3.5924 O 0 5 0 3.0239 4.8250 -2.0839 O 0 0 0 5.5751 4.6619 -2.4041 O 0 0 0 5.7795 5.7141 -3.3491 C 0 0 0 3.0442 -3.4879 0.6210 O 0 0 0 1.6751 -3.4379 -3.6020 O 0 0 0 3.5795 -1.1508 -4.7683 H 0 0 0 1.8029 -1.1943 -4.6676 H 0 0 0 2.6995 0.1838 -3.9855 H 0 0 0 1.9532 -4.3988 -1.3600 H 0 0 0 3.8782 -0.0512 -1.8895 H 0 0 0 2.5709 -1.6936 1.8922 H 0 0 0 3.7139 -0.5000 2.6135 H 0 0 0 2.8572 1.3737 -1.4290 H 0 0 0 2.3375 2.6804 -0.3377 H 0 0 0 6.7860 6.1162 -3.2331 H 0 0 0 5.6584 5.3236 -4.3595 H 0 0 0 5.0500 6.5052 -3.1755 H 0 0 0 0.0624 -1.0610 1.5693 O 0 5 0 -3.2017 3.5384 -1.9967 C 0 0 0 -3.5589 2.7290 -3.2167 C 0 0 0 -4.6707 3.0888 -4.0160 C 0 0 0 -4.9707 2.3499 -5.1032 N 0 0 0 -4.2196 1.2802 -5.4248 C 0 0 0 -3.1606 0.9278 -4.6736 N 0 0 0 -2.8196 1.6543 -3.5653 C 0 0 0 -2.3621 -0.2419 -5.0484 C 0 0 1 -1.9235 -0.1099 -6.0375 H 0 0 0 -1.3490 -0.5036 -4.0709 O 0 0 0 -1.8466 -1.4156 -3.1013 C 0 0 2 -1.3077 -2.3613 -3.1591 H 0 0 0 -3.3138 -1.6192 -3.4597 C 0 0 2 -3.6699 -2.5995 -3.1428 H 0 0 0 -3.2083 -1.5265 -4.9895 C 0 0 0 -4.1318 -0.5735 -2.9310 O 0 0 0 -5.3342 -0.8400 -1.8941 P 0 0 0 -6.4355 -1.6739 -2.5859 O 0 5 0 -4.7961 -1.6127 -0.6691 O 0 0 0 -5.9496 0.5677 -1.4127 O 0 0 0 -6.9636 0.6721 -0.4112 C 0 0 0 -1.7223 -0.8197 -1.6976 C 0 0 0 -0.3408 -0.6843 -1.3583 O 0 0 0 -4.5024 0.6230 -6.4079 O 0 0 0 -5.3499 4.0565 -3.7241 O 0 0 0 -2.5128 4.3348 -2.2780 H 0 0 0 -4.1063 3.9736 -1.5718 H 0 0 0 -2.7278 2.8921 -1.2579 H 0 0 0 -5.7311 2.5899 -5.6557 H 0 0 0 -1.9655 1.3672 -2.9700 H 0 0 0 -4.1835 -1.3903 -5.4569 H 0 0 0 -2.6772 -2.3803 -5.4104 H 0 0 0 -7.2162 1.7212 -0.2579 H 0 0 0 -7.8511 0.1282 -0.7347 H 0 0 0 -6.5969 0.2464 0.5229 H 0 0 0 -2.1997 0.1599 -1.6752 H 0 0 0 -2.2101 -1.4782 -0.9789 H 0 0 0 1 2 1 0 1 3 1 0 1 20 1 0 1 42 1 0 1 65 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 21 22 1 0 21 37 1 0 21 38 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 1 0 26 27 1 0 27 39 1 0 27 40 1 0 27 41 1 0 43 44 1 0 43 68 1 0 43 69 1 0 43 70 1 0 44 49 2 0 44 45 1 0 45 46 1 0 45 67 2 0 46 47 1 0 46 71 1 0 47 48 1 0 47 66 2 0 48 49 1 0 48 50 1 0 49 72 1 0 50 51 1 0 50 57 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 64 1 0 55 56 1 0 55 57 1 0 55 58 1 0 57 73 1 0 57 74 1 0 58 59 1 0 59 60 1 0 59 61 2 0 59 62 1 0 62 63 1 0 63 75 1 0 63 76 1 0 63 77 1 0 64 65 1 0 64 78 1 0 64 79 1 0 M CHG 4 3 -1 24 -1 42 -1 60 -1 M END $$$$ 5T3T_2p_i001_c005 JHcorina 12120617133D 1 1.00000 6.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 -0.6329 -0.4495 -0.0859 P 0 0 0 -0.3615 1.1709 0.4233 O 0 0 0 -2.3195 -0.1316 -0.1985 O 0 5 0 0.5413 1.3426 0.7242 H 0 0 0 1.1599 -3.6148 -2.6410 C 0 0 0 2.3123 -2.8469 -2.0466 C 0 0 0 3.3154 -2.2983 -2.8815 C 0 0 0 4.3368 -1.6147 -2.3270 N 0 0 0 4.4013 -1.4560 -0.9919 C 0 0 0 3.4545 -1.9724 -0.1876 N 0 0 0 2.3990 -2.6682 -0.7110 C 0 0 0 3.5519 -1.7836 1.2620 C 0 0 1 4.2173 -2.5205 1.7117 H 0 0 0 3.9554 -0.4430 1.5903 O 0 0 0 2.8381 0.3722 1.2216 C 0 0 2 2.7468 1.2150 1.9066 H 0 0 0 1.6068 -0.5191 1.3207 C 0 0 2 0.8606 -0.0771 1.9809 H 0 0 0 2.1705 -1.8026 1.9215 C 0 0 0 1.0537 -0.7673 0.0267 O 0 0 0 3.0064 0.8778 -0.2126 C 0 0 0 4.1656 1.7097 -0.2914 O 0 0 0 4.5757 2.5185 -1.6218 P 0 0 0 4.8834 1.5182 -2.7583 O 0 5 0 3.4083 3.4373 -2.0463 O 0 0 0 5.8816 3.4123 -1.3253 O 0 0 0 6.4319 4.3257 -2.2766 C 0 0 0 5.3285 -0.8375 -0.5060 O 0 0 0 3.2565 -2.4427 -4.0893 O 0 0 0 0.3126 -2.9444 -2.7855 H 0 0 0 1.4595 -4.0339 -3.6015 H 0 0 0 0.8739 -4.4213 -1.9659 H 0 0 0 5.0281 -1.2361 -2.8924 H 0 0 0 1.6409 -3.0760 -0.0587 H 0 0 0 1.5938 -2.6759 1.6168 H 0 0 0 2.2447 -1.7365 3.0070 H 0 0 0 3.1222 0.0286 -0.8861 H 0 0 0 2.1263 1.4527 -0.5008 H 0 0 0 7.3087 4.8116 -1.8486 H 0 0 0 6.7205 3.7828 -3.1767 H 0 0 0 5.6864 5.0793 -2.5302 H 0 0 0 -0.9420 -1.6766 1.0790 O 0 5 0 -5.1234 3.5726 -3.4312 C 0 0 0 -3.7230 3.0258 -3.3259 C 0 0 0 -2.8886 3.3943 -2.2431 C 0 0 0 -1.6395 2.8919 -2.1697 N 0 0 0 -1.1909 2.0480 -3.1175 C 0 0 0 -1.9739 1.6900 -4.1514 N 0 0 0 -3.2494 2.1735 -4.2599 C 0 0 0 -1.4577 0.7701 -5.1680 C 0 0 1 -0.8570 1.2978 -5.9088 H 0 0 0 -0.7226 -0.3122 -4.5712 O 0 0 0 -1.7122 -1.0894 -3.8888 C 0 0 2 -1.4476 -2.1462 -3.9226 H 0 0 0 -3.0243 -0.8541 -4.6259 C 0 0 2 -3.4638 -1.7988 -4.9460 H 0 0 0 -2.5881 -0.0236 -5.8284 C 0 0 0 -3.9405 -0.1205 -3.8108 O 0 0 0 -5.3813 -0.6936 -3.3773 P 0 0 0 -6.2664 -0.8642 -4.6321 O 0 5 0 -5.2035 -2.0621 -2.6826 O 0 0 0 -6.0850 0.3371 -2.3603 O 0 0 0 -7.3299 0.0648 -1.7136 C 0 0 0 -1.8354 -0.6258 -2.4359 C 0 0 0 -0.5952 -0.8426 -1.7599 O 0 0 0 -0.0621 1.6032 -3.0384 O 0 0 0 -3.2952 4.1581 -1.3862 O 0 0 0 -5.7987 2.9597 -2.8343 H 0 0 0 -5.1417 4.5981 -3.0623 H 0 0 0 -5.4426 3.5556 -4.4733 H 0 0 0 -1.0617 3.1399 -1.4311 H 0 0 0 -3.8729 1.8779 -5.0907 H 0 0 0 -3.3871 0.6317 -6.1752 H 0 0 0 -2.2153 -0.6544 -6.6354 H 0 0 0 -7.6006 0.9073 -1.0771 H 0 0 0 -8.1045 -0.0861 -2.4655 H 0 0 0 -7.2342 -0.8343 -1.1050 H 0 0 0 -2.0809 0.4360 -2.4129 H 0 0 0 -2.6236 -1.1918 -1.9395 H 0 0 0 1 2 1 0 1 3 1 0 1 20 1 0 1 42 1 0 1 65 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 21 22 1 0 21 37 1 0 21 38 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 1 0 26 27 1 0 27 39 1 0 27 40 1 0 27 41 1 0 43 44 1 0 43 68 1 0 43 69 1 0 43 70 1 0 44 49 2 0 44 45 1 0 45 46 1 0 45 67 2 0 46 47 1 0 46 71 1 0 47 48 1 0 47 66 2 0 48 49 1 0 48 50 1 0 49 72 1 0 50 51 1 0 50 57 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 64 1 0 55 56 1 0 55 57 1 0 55 58 1 0 57 73 1 0 57 74 1 0 58 59 1 0 59 60 1 0 59 61 2 0 59 62 1 0 62 63 1 0 63 75 1 0 63 76 1 0 63 77 1 0 64 65 1 0 64 78 1 0 64 79 1 0 M CHG 4 3 -1 24 -1 42 -1 60 -1 M END $$$$ 5T3T_2p_i001_c006 JHcorina 12120617133D 1 1.00000 6.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 0.8567 2.1210 0.0053 H 0 0 0 8.8816 1.9527 2.0032 C 0 0 0 7.7900 1.0474 2.5129 C 0 0 0 8.1119 -0.1520 3.1928 C 0 0 0 7.1182 -0.9460 3.6403 N 0 0 0 5.8324 -0.6007 3.4419 C 0 0 0 5.5133 0.5363 2.7973 N 0 0 0 6.4919 1.3720 2.3322 C 0 0 0 4.1048 0.8854 2.5959 C 0 0 1 3.6020 0.9960 3.5567 H 0 0 0 3.9954 2.0801 1.8411 O 0 0 0 3.1708 1.8774 0.6881 C 0 0 2 2.5509 2.7530 0.4951 H 0 0 0 2.3049 0.6738 1.1143 C 0 0 2 1.5467 0.9627 1.8421 H 0 0 0 3.4109 -0.1754 1.7534 C 0 0 0 1.7218 0.0193 -0.0143 O 0 0 0 4.0211 1.5346 -0.5369 C 0 0 0 4.8202 2.6644 -0.8933 O 0 0 0 5.8395 2.6594 -2.1395 P 0 0 0 6.9727 1.6433 -1.8739 O 0 5 0 5.0802 2.2597 -3.4243 O 0 0 0 6.4693 4.1296 -2.3237 O 0 0 0 7.3319 4.4764 -3.4088 C 0 0 0 4.9469 -1.3267 3.8506 O 0 0 0 9.2754 -0.4638 3.3715 O 0 0 0 9.1458 2.6742 2.7764 H 0 0 0 9.7578 1.3570 1.7474 H 0 0 0 8.5307 2.4818 1.1172 H 0 0 0 7.3307 -1.7695 4.1067 H 0 0 0 6.2272 2.2850 1.8194 H 0 0 0 4.0829 -0.5861 0.9998 H 0 0 0 2.9917 -0.9656 2.3763 H 0 0 0 4.6694 0.6898 -0.3043 H 0 0 0 3.3689 1.2735 -1.3703 H 0 0 0 7.6277 5.5216 -3.3182 H 0 0 0 8.2195 3.8442 -3.3838 H 0 0 0 6.8067 4.3280 -4.3523 H 0 0 0 0.0280 -0.8720 1.4868 O 0 5 0 0.9189 3.5322 -3.7919 C 0 0 0 -0.2655 2.8964 -4.4730 C 0 0 0 -1.2325 3.6977 -5.1265 C 0 0 0 -2.2836 3.1064 -5.7295 N 0 0 0 -2.4114 1.7666 -5.7098 C 0 0 0 -1.4994 0.9940 -5.0922 N 0 0 0 -0.4156 1.5546 -4.4729 C 0 0 0 -1.6657 -0.4616 -5.0870 C 0 0 1 -1.6653 -0.8454 -6.1071 H 0 0 0 -0.6360 -1.0733 -4.3289 O 0 0 0 -1.1881 -1.9154 -3.3109 C 0 0 2 -0.5918 -2.8197 -3.1891 H 0 0 0 -2.5812 -2.2486 -3.8837 C 0 0 2 -2.5171 -2.9612 -4.7060 H 0 0 0 -2.9560 -0.8452 -4.3766 C 0 0 0 -3.4731 -2.7065 -2.8654 O 0 0 0 -4.1660 -4.1595 -2.8951 P 0 0 0 -5.1232 -4.2490 -4.1045 O 0 5 0 -3.0760 -5.2474 -3.0194 O 0 0 0 -4.9971 -4.3855 -1.5349 O 0 0 0 -5.6413 -5.6197 -1.2123 C 0 0 0 -1.3066 -1.1616 -1.9847 C 0 0 0 -0.0005 -0.8560 -1.4922 O 0 0 0 -3.3647 1.2473 -6.2574 O 0 0 0 -1.1163 4.9098 -5.1436 O 0 0 0 1.7399 3.6256 -4.5028 H 0 0 0 0.6405 4.5207 -3.4266 H 0 0 0 1.2331 2.9103 -2.9537 H 0 0 0 -2.9505 3.6487 -6.1791 H 0 0 0 0.3141 0.9270 -3.9830 H 0 0 0 -3.1656 -0.1738 -3.5439 H 0 0 0 -3.7956 -0.8818 -5.0708 H 0 0 0 -6.1368 -5.5291 -0.2457 H 0 0 0 -6.3798 -5.8552 -1.9786 H 0 0 0 -4.8985 -6.4161 -1.1666 H 0 0 0 -1.8617 -0.2366 -2.1409 H 0 0 0 -1.8323 -1.7827 -1.2595 H 0 0 0 1 2 1 0 1 3 1 0 1 20 1 0 1 42 1 0 1 65 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 21 22 1 0 21 37 1 0 21 38 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 1 0 26 27 1 0 27 39 1 0 27 40 1 0 27 41 1 0 43 44 1 0 43 68 1 0 43 69 1 0 43 70 1 0 44 49 2 0 44 45 1 0 45 46 1 0 45 67 2 0 46 47 1 0 46 71 1 0 47 48 1 0 47 66 2 0 48 49 1 0 48 50 1 0 49 72 1 0 50 51 1 0 50 57 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 64 1 0 55 56 1 0 55 57 1 0 55 58 1 0 57 73 1 0 57 74 1 0 58 59 1 0 59 60 1 0 59 61 2 0 59 62 1 0 62 63 1 0 63 75 1 0 63 76 1 0 63 77 1 0 64 65 1 0 64 78 1 0 64 79 1 0 M CHG 4 3 -1 24 -1 42 -1 60 -1 M END $$$$ 5T3T_2p_i001_c007 JHcorina 12120617133D 1 1.00000 8.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 -0.6328 0.5662 0.0662 P 0 0 0 -0.5660 2.1942 0.6171 O 0 0 0 -2.3447 0.6780 -0.0568 O 0 5 0 0.3210 2.4899 0.8637 H 0 0 0 7.0142 -2.4919 0.8425 C 0 0 0 6.5559 -1.1971 1.4626 C 0 0 0 7.4589 -0.1183 1.6207 C 0 0 0 7.0259 1.0307 2.1778 N 0 0 0 5.7468 1.1500 2.5796 C 0 0 0 4.8788 0.1323 2.4349 N 0 0 0 5.2771 -1.0485 1.8697 C 0 0 0 3.4928 0.2916 2.8822 C 0 0 1 3.3781 -0.1039 3.8914 H 0 0 0 3.1197 1.6729 2.8487 O 0 0 0 2.5415 1.8717 1.5474 C 0 0 2 2.0010 2.8166 1.4930 H 0 0 0 1.5829 0.6772 1.5078 C 0 0 2 0.7719 0.7927 2.2269 H 0 0 0 2.5470 -0.4261 1.9265 C 0 0 0 1.0792 0.4544 0.1893 O 0 0 0 3.5999 1.7761 0.4466 C 0 0 0 4.5102 2.8713 0.5647 O 0 0 0 5.6502 3.1857 -0.5279 P 0 0 0 6.6670 2.0229 -0.5605 O 0 5 0 4.9998 3.3404 -1.9207 O 0 0 0 6.4082 4.5507 -0.1349 O 0 0 0 7.4035 5.1545 -0.9637 C 0 0 0 5.3706 2.1920 3.0807 O 0 0 0 8.6161 -0.2272 1.2573 O 0 0 0 6.9546 -2.4159 -0.2432 H 0 0 0 8.0447 -2.6909 1.1368 H 0 0 0 6.3748 -3.3053 1.1855 H 0 0 0 7.6387 1.7743 2.2898 H 0 0 0 4.5729 -1.8591 1.7534 H 0 0 0 3.0893 -0.8135 1.0640 H 0 0 0 2.0164 -1.2292 2.4379 H 0 0 0 4.1453 0.8378 0.5474 H 0 0 0 3.1141 1.8110 -0.5285 H 0 0 0 7.7687 6.0649 -0.4883 H 0 0 0 8.2317 4.4595 -1.1020 H 0 0 0 6.9693 5.3998 -1.9329 H 0 0 0 -0.7980 -0.7185 1.1979 O 0 5 0 -3.0735 5.5775 -1.6127 C 0 0 0 -2.0257 4.5938 -2.0659 C 0 0 0 -0.7672 4.5377 -1.4197 C 0 0 0 0.1545 3.6489 -1.8424 N 0 0 0 -0.1203 2.8231 -2.8691 C 0 0 0 -1.3123 2.8664 -3.4916 N 0 0 0 -2.2766 3.7502 -3.0899 C 0 0 0 -1.5822 1.9552 -4.6065 C 0 0 1 -1.3719 2.4515 -5.5540 H 0 0 0 -0.7846 0.7734 -4.4815 O 0 0 0 -1.6044 -0.1542 -3.7501 C 0 0 2 -1.2042 -1.1666 -3.8047 H 0 0 0 -2.9080 -0.0256 -4.5447 C 0 0 2 -2.8038 -0.4324 -5.5506 H 0 0 0 -3.0339 1.4929 -4.5670 C 0 0 0 -4.0037 -0.6278 -3.8527 O 0 0 0 -4.8662 -1.8420 -4.4643 P 0 0 0 -5.6203 -1.3557 -5.7220 O 0 5 0 -3.9216 -3.0031 -4.8469 O 0 0 0 -5.9273 -2.3528 -3.3664 O 0 0 0 -6.7701 -3.4891 -3.5683 C 0 0 0 -1.7886 0.2898 -2.2976 C 0 0 0 -0.5343 0.2228 -1.6163 O 0 0 0 0.7208 2.0270 -3.2396 O 0 0 0 -0.5194 5.2855 -0.4911 O 0 0 0 -3.6341 5.1533 -0.7798 H 0 0 0 -2.5908 6.5010 -1.2929 H 0 0 0 -3.7535 5.7899 -2.4377 H 0 0 0 1.0191 3.6047 -1.4049 H 0 0 0 -3.2323 3.7757 -3.5921 H 0 0 0 -3.5301 1.8529 -3.6657 H 0 0 0 -3.5694 1.8230 -5.4572 H 0 0 0 -7.3983 -3.6361 -2.6898 H 0 0 0 -7.4003 -3.3233 -4.4421 H 0 0 0 -6.1544 -4.3744 -3.7271 H 0 0 0 -2.1600 1.3143 -2.2751 H 0 0 0 -2.5052 -0.3673 -1.8049 H 0 0 0 1 2 1 0 1 3 1 0 1 20 1 0 1 42 1 0 1 65 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 21 22 1 0 21 37 1 0 21 38 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 1 0 26 27 1 0 27 39 1 0 27 40 1 0 27 41 1 0 43 44 1 0 43 68 1 0 43 69 1 0 43 70 1 0 44 49 2 0 44 45 1 0 45 46 1 0 45 67 2 0 46 47 1 0 46 71 1 0 47 48 1 0 47 66 2 0 48 49 1 0 48 50 1 0 49 72 1 0 50 51 1 0 50 57 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 64 1 0 55 56 1 0 55 57 1 0 55 58 1 0 57 73 1 0 57 74 1 0 58 59 1 0 59 60 1 0 59 61 2 0 59 62 1 0 62 63 1 0 63 75 1 0 63 76 1 0 63 77 1 0 64 65 1 0 64 78 1 0 64 79 1 0 M CHG 4 3 -1 24 -1 42 -1 60 -1 M END $$$$ 5T3T_2p_i001_c008 JHcorina 12120617133D 1 1.00000 8.00000 CORINA 3.20 0003 11.05.2005 79 82 0 1 0 0 0 0 0999 V2000 0.4291 -1.4413 0.3418 P 0 0 0 0.8410 0.2286 0.3331 O 0 0 0 -1.2375 -1.0296 0.4482 O 0 5 0 1.7929 0.3989 0.3355 H 0 0 0 8.1904 -1.2719 -1.7835 C 0 0 0 7.2477 -2.1973 -1.0582 C 0 0 0 7.0073 -3.5039 -1.5474 C 0 0 0 6.1601 -4.3143 -0.8814 N 0 0 0 5.5491 -3.8841 0.2381 C 0 0 0 5.7690 -2.6448 0.7134 N 0 0 0 6.6254 -1.7934 0.0699 C 0 0 0 5.0890 -2.2045 1.9340 C 0 0 1 5.6124 -2.5666 2.8190 H 0 0 0 4.9636 -0.7689 1.9629 O 0 0 0 3.9627 -0.4920 0.9766 C 0 0 2 3.6171 0.5392 1.0486 H 0 0 0 2.8641 -1.4652 1.3761 C 0 0 2 2.2209 -1.0262 2.1388 H 0 0 0 3.6258 -2.6614 1.9395 C 0 0 0 2.0957 -1.8530 0.2354 O 0 0 0 4.4796 -0.7968 -0.4309 C 0 0 0 3.4771 -0.4564 -1.3906 O 0 0 0 3.6353 -0.7500 -2.9657 P 0 0 0 4.8058 0.0855 -3.5303 O 0 5 0 3.9231 -2.2524 -3.1831 O 0 0 0 2.2739 -0.3489 -3.7258 O 0 0 0 2.0606 -0.5879 -5.1184 C 0 0 0 4.7874 -4.6258 0.8280 O 0 0 0 7.5603 -3.8922 -2.5606 O 0 0 0 9.1836 -1.3445 -1.3402 H 0 0 0 8.2401 -1.5549 -2.8349 H 0 0 0 7.8293 -0.2468 -1.6998 H 0 0 0 5.9901 -5.2108 -1.2105 H 0 0 0 6.7996 -0.8016 0.4603 H 0 0 0 3.4956 -3.5352 1.3011 H 0 0 0 3.2975 -2.8808 2.9554 H 0 0 0 5.3793 -0.2119 -0.6221 H 0 0 0 4.7129 -1.8586 -0.5102 H 0 0 0 1.0699 -0.2318 -5.4006 H 0 0 0 2.8162 -0.0575 -5.6980 H 0 0 0 2.1332 -1.6569 -5.3189 H 0 0 0 0.3143 -2.2910 1.8329 O 0 5 0 -4.3152 -3.1422 2.0099 C 0 0 0 -4.0469 -2.3796 0.7381 C 0 0 0 -3.9350 -0.9685 0.7579 C 0 0 0 -3.6943 -0.3077 -0.3926 N 0 0 0 -3.5617 -0.9843 -1.5486 C 0 0 0 -3.6659 -2.3253 -1.5808 N 0 0 0 -3.9046 -3.0336 -0.4346 C 0 0 0 -3.5175 -3.0342 -2.8542 C 0 0 1 -4.4737 -3.0989 -3.3733 H 0 0 0 -2.5247 -2.3984 -3.6835 O 0 0 0 -1.2849 -2.7217 -3.0436 C 0 0 2 -0.4384 -2.4836 -3.6877 H 0 0 0 -1.4222 -4.2250 -2.8559 C 0 0 2 -1.0895 -4.7554 -3.7481 H 0 0 0 -2.9184 -4.4284 -2.6368 C 0 0 0 -0.6849 -4.6588 -1.7112 O 0 0 0 0.5510 -5.6866 -1.8021 P 0 0 0 0.0454 -7.0567 -2.3063 O 0 5 0 1.6085 -5.1348 -2.7840 O 0 0 0 1.2117 -5.8617 -0.3444 O 0 0 0 2.3883 -6.6384 -0.1114 C 0 0 0 -1.1610 -2.0101 -1.6948 C 0 0 0 0.1318 -2.2615 -1.1405 O 0 0 0 -3.3452 -0.3751 -2.5782 O 0 0 0 -4.0554 -0.3570 1.8041 O 0 0 0 -3.3743 -3.3257 2.5288 H 0 0 0 -4.9759 -2.5586 2.6510 H 0 0 0 -4.7893 -4.0939 1.7699 H 0 0 0 -3.6166 0.6592 -0.3872 H 0 0 0 -3.9826 -4.1102 -0.4684 H 0 0 0 -3.1147 -4.7750 -1.6221 H 0 0 0 -3.3197 -5.1346 -3.3637 H 0 0 0 2.6850 -6.5441 0.9332 H 0 0 0 2.1838 -7.6848 -0.3380 H 0 0 0 3.1938 -6.2787 -0.7517 H 0 0 0 -1.2933 -0.9375 -1.8365 H 0 0 0 -1.9268 -2.3840 -1.0151 H 0 0 0 1 2 1 0 1 3 1 0 1 20 1 0 1 42 1 0 1 65 1 0 2 4 1 0 5 6 1 0 5 30 1 0 5 31 1 0 5 32 1 0 6 11 2 0 6 7 1 0 7 8 1 0 7 29 2 0 8 9 1 0 8 33 1 0 9 10 1 0 9 28 2 0 10 11 1 0 10 12 1 0 11 34 1 0 12 13 1 0 12 19 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 35 1 0 19 36 1 0 21 22 1 0 21 37 1 0 21 38 1 0 22 23 1 0 23 24 1 0 23 25 2 0 23 26 1 0 26 27 1 0 27 39 1 0 27 40 1 0 27 41 1 0 43 44 1 0 43 68 1 0 43 69 1 0 43 70 1 0 44 49 2 0 44 45 1 0 45 46 1 0 45 67 2 0 46 47 1 0 46 71 1 0 47 48 1 0 47 66 2 0 48 49 1 0 48 50 1 0 49 72 1 0 50 51 1 0 50 57 1 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 64 1 0 55 56 1 0 55 57 1 0 55 58 1 0 57 73 1 0 57 74 1 0 58 59 1 0 59 60 1 0 59 61 2 0 59 62 1 0 62 63 1 0 63 75 1 0 63 76 1 0 63 77 1 0 64 65 1 0 64 78 1 0 64 79 1 0 M CHG 4 3 -1 24 -1 42 -1 60 -1 M END $$$$ 5C3C_1p_i001_c001 JHcorina 12120617133D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 75 78 0 1 0 0 0 0 0999 V2000 -0.1427 0.3529 -0.0275 P 0 0 0 0.0386 2.0059 0.4120 O 0 0 0 -1.6679 0.7092 -0.7383 O 0 5 0 0.9540 2.2712 0.5756 H 0 0 0 4.4080 4.2144 6.5583 C 0 0 0 4.4974 3.5365 5.3035 O 0 0 0 3.2572 2.7534 4.6396 P 0 0 0 2.8710 1.5514 5.5301 O 0 5 0 2.0509 3.7107 4.5150 O 0 0 0 3.6766 2.2254 3.1776 O 0 0 0 2.7600 1.5820 2.2899 C 0 0 0 3.4817 1.2101 0.9932 C 0 0 1 3.9495 2.0912 0.5540 H 0 0 0 4.4707 0.1879 1.2437 O 0 0 0 4.7192 -0.4241 -0.0407 C 0 0 2 5.3765 0.2057 -0.6403 H 0 0 0 3.3274 -0.5321 -0.7023 C 0 0 0 2.4940 0.5704 -0.0076 C 0 0 1 2.1538 1.3090 -0.7334 H 0 0 0 1.3825 -0.0034 0.6833 O 0 0 0 5.3082 -1.7541 0.1334 N 0 0 0 4.6916 -2.6626 0.9114 C 0 0 0 5.2046 -3.8791 1.0867 N 0 0 0 6.3407 -4.2266 0.4965 C 0 0 0 7.0117 -3.2977 -0.3252 C 0 0 0 6.4747 -2.0667 -0.4977 C 0 0 0 6.8614 -5.4858 0.6853 N 0 0 0 3.6458 -2.3669 1.4654 O 0 0 0 5.3709 4.6662 6.7966 H 0 0 0 3.6468 4.9923 6.4975 H 0 0 0 4.1380 3.5020 7.3378 H 0 0 0 2.3709 0.6793 2.7610 H 0 0 0 1.9356 2.2590 2.0656 H 0 0 0 3.3973 -0.3385 -1.7727 H 0 0 0 2.8924 -1.5144 -0.5184 H 0 0 0 7.9375 -3.5654 -0.8128 H 0 0 0 6.9675 -1.3393 -1.1258 H 0 0 0 6.3976 -6.1225 1.2513 H 0 0 0 7.6922 -5.7370 0.2523 H 0 0 0 -6.6815 0.6757 -2.2484 C 0 0 0 -6.0994 0.4275 -0.9671 O 0 0 0 -5.7072 -1.0469 -0.4529 P 0 0 0 -6.9886 -1.8962 -0.2982 O 0 5 0 -4.7662 -1.7168 -1.4789 O 0 0 0 -4.9605 -0.9383 0.9693 O 0 0 0 -4.3948 -2.0666 1.6395 C 0 0 1 -4.5571 -2.9750 1.0595 H 0 0 0 -2.8864 -1.8468 1.8904 C 0 0 2 -2.3497 -2.7935 1.8289 H 0 0 0 -2.8093 -1.3112 3.2295 O 0 0 0 -3.7767 -2.0615 3.9957 C 0 0 2 -3.3765 -3.0411 4.2570 H 0 0 0 -4.9966 -2.2132 3.0550 C 0 0 0 -4.1508 -1.3251 5.2057 N 0 0 0 -4.5940 -0.0583 5.1081 C 0 0 0 -4.9412 0.6340 6.1916 N 0 0 0 -4.8584 0.0897 7.3985 C 0 0 0 -4.3978 -1.2360 7.5351 C 0 0 0 -4.0535 -1.9285 6.4236 C 0 0 0 -5.2194 0.8146 8.5106 N 0 0 0 -4.6787 0.4647 4.0093 O 0 0 0 -2.3186 -0.8472 0.8809 C 0 0 0 -0.9038 -0.7462 1.0547 O 0 0 0 -7.6287 0.1419 -2.3266 H 0 0 0 -6.8561 1.7450 -2.3671 H 0 0 0 -6.0037 0.3293 -3.0286 H 0 0 0 -5.7257 -1.4251 3.2435 H 0 0 0 -5.4544 -3.1951 3.1755 H 0 0 0 -4.3247 -1.6934 8.5107 H 0 0 0 -3.7021 -2.9468 6.5018 H 0 0 0 -5.5356 1.7264 8.4135 H 0 0 0 -5.1578 0.4138 9.3918 H 0 0 0 -2.5369 -1.1889 -0.1309 H 0 0 0 -2.7750 0.1297 1.0408 H 0 0 0 0.4371 -0.2010 -1.5492 O 0 5 0 1 2 1 0 1 3 1 0 1 20 1 0 1 63 1 0 1 75 1 0 2 4 1 0 5 6 1 0 5 29 1 0 5 30 1 0 5 31 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 32 1 0 11 33 1 0 12 13 1 0 12 18 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 34 1 0 17 35 1 0 18 19 1 0 18 20 1 0 21 26 1 0 21 22 1 0 22 23 1 0 22 28 2 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 25 36 1 0 26 37 1 0 27 38 1 0 27 39 1 0 40 41 1 0 40 64 1 0 40 65 1 0 40 66 1 0 41 42 1 0 42 43 1 0 42 44 2 0 42 45 1 0 45 46 1 0 46 47 1 0 46 53 1 0 46 48 1 0 48 49 1 0 48 50 1 0 48 62 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 53 67 1 0 53 68 1 0 54 59 1 0 54 55 1 0 55 56 1 0 55 61 2 0 56 57 2 0 57 58 1 0 57 60 1 0 58 59 2 0 58 69 1 0 59 70 1 0 60 71 1 0 60 72 1 0 62 63 1 0 62 73 1 0 62 74 1 0 M CHG 4 3 -1 8 -1 43 -1 75 -1 M END $$$$ 5C3C_1p_i001_c002 JHcorina 12120617133D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 75 78 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -0.0212 1.7157 0.0115 O 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 0.8567 2.1210 0.0053 H 0 0 0 5.0229 5.7152 4.0472 C 0 0 0 4.8006 5.0081 2.8255 O 0 0 0 4.0416 3.5898 2.7588 P 0 0 0 4.8780 2.5228 3.4999 O 0 5 0 2.6557 3.7152 3.4299 O 0 0 0 3.8555 3.1525 1.2206 O 0 0 0 3.1254 1.9895 0.8249 C 0 0 0 3.1445 1.8697 -0.7002 C 0 0 1 2.7795 2.7914 -1.1533 H 0 0 0 4.4718 1.5887 -1.1559 O 0 0 0 4.3441 0.7701 -2.3329 C 0 0 2 3.9988 1.3579 -3.1834 H 0 0 0 3.2673 -0.2360 -1.8808 C 0 0 0 2.2833 0.6860 -1.1467 C 0 0 1 1.4959 1.0195 -1.8225 H 0 0 0 1.7218 0.0193 -0.0143 O 0 0 0 5.6054 0.0919 -2.6421 N 0 0 0 6.2147 -0.6506 -1.6997 C 0 0 0 7.3617 -1.2781 -1.9539 N 0 0 0 7.9340 -1.1862 -3.1471 C 0 0 0 7.3210 -0.4159 -4.1567 C 0 0 0 6.1525 0.2118 -3.8844 C 0 0 0 9.1190 -1.8384 -3.3980 N 0 0 0 5.7085 -0.7503 -0.5944 O 0 0 0 5.5532 6.6442 3.8380 H 0 0 0 4.0650 5.9412 4.5157 H 0 0 0 5.6200 5.0995 4.7198 H 0 0 0 3.5854 1.1046 1.2647 H 0 0 0 2.0947 2.0727 1.1699 H 0 0 0 2.7922 -0.7126 -2.7383 H 0 0 0 3.6864 -0.9797 -1.2030 H 0 0 0 7.7744 -0.3313 -5.1332 H 0 0 0 5.6614 0.8040 -4.6423 H 0 0 0 9.5384 -2.3673 -2.7015 H 0 0 0 9.5351 -1.7693 -4.2715 H 0 0 0 -6.4167 -2.7774 0.2993 C 0 0 0 -5.4770 -2.1488 1.1733 O 0 0 0 -4.5482 -2.9710 2.1996 P 0 0 0 -5.4361 -3.6566 3.2619 O 0 5 0 -3.7498 -4.0436 1.4257 O 0 0 0 -3.5259 -1.9609 2.9255 O 0 0 0 -2.4994 -2.4001 3.8173 C 0 0 1 -2.5300 -3.4838 3.9298 H 0 0 0 -1.1248 -1.9510 3.3163 C 0 0 2 -0.4755 -2.8153 3.1767 H 0 0 0 -0.5926 -1.0935 4.3311 O 0 0 0 -1.1643 -1.5216 5.5808 C 0 0 2 -0.7235 -2.4620 5.9116 H 0 0 0 -2.6419 -1.7122 5.1834 C 0 0 0 -1.0216 -0.4863 6.6074 N 0 0 0 -1.4673 0.7605 6.3671 C 0 0 0 -1.3507 1.7208 7.2826 N 0 0 0 -0.7901 1.4709 8.4586 C 0 0 0 -0.3128 0.1747 8.7418 C 0 0 0 -0.4433 -0.7921 7.8027 C 0 0 0 -0.6747 2.4707 9.3964 N 0 0 0 -1.9863 1.0155 5.2929 O 0 0 0 -1.2686 -1.1830 2.0009 C 0 0 0 0.0280 -0.8720 1.4868 O 0 0 0 -7.1506 -3.3265 0.8892 H 0 0 0 -6.9238 -2.0180 -0.2959 H 0 0 0 -5.8926 -3.4673 -0.3621 H 0 0 0 -3.1482 -0.7518 5.0872 H 0 0 0 -3.1587 -2.3570 5.8943 H 0 0 0 0.1460 -0.0447 9.6946 H 0 0 0 -0.0895 -1.7937 7.9976 H 0 0 0 -1.0037 3.3615 9.1985 H 0 0 0 -0.2643 2.2850 10.2554 H 0 0 0 -1.8080 -1.7964 1.2791 H 0 0 0 -1.8205 -0.2598 2.1775 H 0 0 0 -0.0005 -0.8560 -1.4922 O 0 5 0 1 2 1 0 1 3 1 0 1 20 1 0 1 63 1 0 1 75 1 0 2 4 1 0 5 6 1 0 5 29 1 0 5 30 1 0 5 31 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 32 1 0 11 33 1 0 12 13 1 0 12 18 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 34 1 0 17 35 1 0 18 19 1 0 18 20 1 0 21 26 1 0 21 22 1 0 22 23 1 0 22 28 2 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 25 36 1 0 26 37 1 0 27 38 1 0 27 39 1 0 40 41 1 0 40 64 1 0 40 65 1 0 40 66 1 0 41 42 1 0 42 43 1 0 42 44 2 0 42 45 1 0 45 46 1 0 46 47 1 0 46 53 1 0 46 48 1 0 48 49 1 0 48 50 1 0 48 62 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 53 67 1 0 53 68 1 0 54 59 1 0 54 55 1 0 55 56 1 0 55 61 2 0 56 57 2 0 57 58 1 0 57 60 1 0 58 59 2 0 58 69 1 0 59 70 1 0 60 71 1 0 60 72 1 0 62 63 1 0 62 73 1 0 62 74 1 0 M CHG 4 3 -1 8 -1 43 -1 75 -1 M END $$$$ 5C3C_1p_i001_c003 JHcorina 12120617133D 1 1.00000 2.00000 CORINA 3.20 0003 11.05.2005 75 78 0 1 0 0 0 0 0999 V2000 -0.1282 0.2933 -0.1232 P 0 0 0 -0.1049 1.8964 0.4996 O 0 0 0 0.0198 -0.3292 1.4733 O 0 5 0 0.7781 2.2159 0.7305 H 0 0 0 2.0402 8.3663 -3.5644 C 0 0 0 1.1980 7.2153 -3.6529 O 0 0 0 1.3874 5.9164 -2.7206 P 0 0 0 2.7405 5.2439 -3.0432 O 0 5 0 1.3644 6.3409 -1.2352 O 0 0 0 0.1909 4.8761 -3.0001 O 0 0 0 0.0182 3.6698 -2.2538 C 0 0 0 -1.2085 2.9186 -2.7753 C 0 0 1 -2.0838 3.5677 -2.8014 H 0 0 0 -0.9529 2.3365 -4.0666 O 0 0 0 -1.9760 1.3677 -4.2700 C 0 0 2 -2.8174 1.8170 -4.7976 H 0 0 0 -2.4116 0.9053 -2.8935 C 0 0 0 -1.4792 1.6527 -1.9471 C 0 0 1 -1.9763 1.8942 -1.0077 H 0 0 0 -0.2762 0.9157 -1.7198 O 0 0 0 -1.4509 0.2345 -5.0356 N 0 0 0 -0.3474 -0.4072 -4.6098 C 0 0 0 0.1512 -1.4406 -5.2861 N 0 0 0 -0.4301 -1.8645 -6.4006 C 0 0 0 -1.5881 -1.2138 -6.8738 C 0 0 0 -2.0857 -0.1680 -6.1723 C 0 0 0 0.0941 -2.9327 -7.0910 N 0 0 0 0.2056 -0.0360 -3.5878 O 0 0 0 1.7169 9.1100 -4.2928 H 0 0 0 1.9752 8.7879 -2.5614 H 0 0 0 3.0711 8.0790 -3.7717 H 0 0 0 0.9029 3.0431 -2.3664 H 0 0 0 -0.1243 3.9114 -1.2005 H 0 0 0 -3.4485 1.1833 -2.7051 H 0 0 0 -2.2819 -0.1722 -2.7914 H 0 0 0 -2.0729 -1.5470 -7.7795 H 0 0 0 -2.9740 0.3439 -6.5119 H 0 0 0 0.8910 -3.3781 -6.7632 H 0 0 0 -0.3331 -3.2404 -7.9057 H 0 0 0 2.6969 -1.9220 6.1547 C 0 0 0 3.3016 -1.6942 4.8802 O 0 0 0 3.2116 -2.7476 3.6660 P 0 0 0 3.9577 -4.0441 4.0526 O 0 5 0 1.7295 -3.0734 3.3757 O 0 0 0 3.8885 -2.1105 2.3515 O 0 0 0 3.8752 -2.7580 1.0776 C 0 0 1 3.3663 -3.7204 1.1317 H 0 0 0 3.2491 -1.8569 0.0016 C 0 0 2 3.0815 -2.4066 -0.9246 H 0 0 0 4.2935 -0.8789 -0.1546 O 0 0 0 5.5102 -1.6135 -0.2369 C 0 0 2 5.7494 -1.8261 -1.2789 H 0 0 0 5.2846 -2.9095 0.5209 C 0 0 0 6.5991 -0.8546 0.3832 N 0 0 0 6.4677 -0.4048 1.6446 C 0 0 0 7.4420 0.2871 2.2328 N 0 0 0 8.5703 0.5511 1.5871 C 0 0 0 8.7395 0.0939 0.2640 C 0 0 0 7.7420 -0.6127 -0.3184 C 0 0 0 9.5695 1.2671 2.2046 N 0 0 0 5.4394 -0.6342 2.2593 O 0 0 0 1.9539 -1.2145 0.5023 C 0 0 0 1.3441 -0.4805 -0.5614 O 0 0 0 3.1145 -2.8256 6.5987 H 0 0 0 2.8941 -1.0718 6.8076 H 0 0 0 1.6208 -2.0424 6.0300 H 0 0 0 6.0079 -3.0141 1.3297 H 0 0 0 5.3415 -3.7641 -0.1533 H 0 0 0 9.6522 0.3005 -0.2751 H 0 0 0 7.8495 -0.9775 -1.3292 H 0 0 0 9.4501 1.5805 3.1148 H 0 0 0 10.3935 1.4585 1.7299 H 0 0 0 1.2715 -1.9922 0.8451 H 0 0 0 2.1789 -0.5389 1.3276 H 0 0 0 -1.6237 -0.5360 -0.3079 O 0 5 0 1 2 1 0 1 3 1 0 1 20 1 0 1 63 1 0 1 75 1 0 2 4 1 0 5 6 1 0 5 29 1 0 5 30 1 0 5 31 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 32 1 0 11 33 1 0 12 13 1 0 12 18 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 34 1 0 17 35 1 0 18 19 1 0 18 20 1 0 21 26 1 0 21 22 1 0 22 23 1 0 22 28 2 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 25 36 1 0 26 37 1 0 27 38 1 0 27 39 1 0 40 41 1 0 40 64 1 0 40 65 1 0 40 66 1 0 41 42 1 0 42 43 1 0 42 44 2 0 42 45 1 0 45 46 1 0 46 47 1 0 46 53 1 0 46 48 1 0 48 49 1 0 48 50 1 0 48 62 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 53 67 1 0 53 68 1 0 54 59 1 0 54 55 1 0 55 56 1 0 55 61 2 0 56 57 2 0 57 58 1 0 57 60 1 0 58 59 2 0 58 69 1 0 59 70 1 0 60 71 1 0 60 72 1 0 62 63 1 0 62 73 1 0 62 74 1 0 M CHG 4 3 -1 8 -1 43 -1 75 -1 M END $$$$ 5C3C_1p_i001_c004 JHcorina 12120617133D 1 1.00000 4.00000 CORINA 3.20 0003 11.05.2005 75 78 0 1 0 0 0 0 0999 V2000 -0.3537 -0.7458 -1.0656 P 0 0 0 -0.3167 0.9635 -1.2538 O 0 0 0 -2.0729 -0.7049 -1.0321 O 0 5 0 0.5736 1.3408 -1.2463 H 0 0 0 5.8037 5.0230 1.9522 C 0 0 0 5.4807 4.0427 0.9639 O 0 0 0 4.1795 3.0993 1.0571 P 0 0 0 4.3064 2.1663 2.2820 O 0 5 0 2.9167 3.9768 1.2068 O 0 0 0 4.0617 2.2136 -0.2822 O 0 0 0 2.9546 1.3505 -0.5498 C 0 0 0 3.1595 0.6620 -1.9007 C 0 0 1 3.3498 1.4031 -2.6770 H 0 0 0 4.2362 -0.2624 -1.8257 O 0 0 0 3.7840 -1.5598 -2.2289 C 0 0 2 4.5664 -2.0944 -2.7677 H 0 0 0 2.6106 -1.2148 -3.1637 C 0 0 0 1.9389 -0.1778 -2.2577 C 0 0 1 1.1980 0.4064 -2.8034 H 0 0 0 1.3654 -0.7868 -1.0991 O 0 0 0 3.3248 -2.3357 -1.0742 N 0 0 0 2.7324 -3.5292 -1.2626 C 0 0 0 2.3059 -4.2555 -0.2309 N 0 0 0 2.4551 -3.8186 1.0128 C 0 0 0 3.0718 -2.5719 1.2443 C 0 0 0 3.5048 -1.8476 0.1852 C 0 0 0 2.0101 -4.5773 2.0706 N 0 0 0 2.5833 -3.9526 -2.3968 O 0 0 0 6.7253 5.5325 1.6710 H 0 0 0 4.9938 5.7492 2.0218 H 0 0 0 5.9382 4.5351 2.9176 H 0 0 0 2.8833 0.5972 0.2348 H 0 0 0 2.0356 1.9360 -0.5760 H 0 0 0 2.9550 -0.7743 -4.0994 H 0 0 0 1.9662 -2.0763 -3.3388 H 0 0 0 3.2007 -2.2023 2.2508 H 0 0 0 3.9842 -0.8919 0.3370 H 0 0 0 1.5860 -5.4343 1.9082 H 0 0 0 2.1206 -4.2551 2.9788 H 0 0 0 -7.3205 -0.7916 0.8209 C 0 0 0 -6.0806 -0.7542 1.5303 O 0 0 0 -5.2765 -2.0807 1.9613 P 0 0 0 -6.1114 -2.8782 2.9879 O 0 5 0 -5.0209 -2.9561 0.7142 O 0 0 0 -3.8688 -1.6640 2.6222 O 0 0 0 -2.8798 -2.6185 3.0134 C 0 0 1 -3.1713 -3.6299 2.7302 H 0 0 0 -1.5063 -2.2578 2.4601 C 0 0 2 -0.8690 -3.1413 2.4226 H 0 0 0 -0.9760 -1.3045 3.3709 O 0 0 0 -1.8643 -1.1584 4.4844 C 0 0 2 -1.3080 -0.9890 5.4063 H 0 0 0 -2.5681 -2.5225 4.5118 C 0 0 0 -2.8233 -0.0760 4.2496 N 0 0 0 -3.8323 0.1241 5.1172 C 0 0 0 -4.7179 1.1008 4.9284 N 0 0 0 -4.6269 1.9036 3.8762 C 0 0 0 -3.5812 1.7204 2.9482 C 0 0 0 -2.6857 0.7263 3.1568 C 0 0 0 -5.5477 2.9087 3.6912 N 0 0 0 -3.9378 -0.6011 6.0924 O 0 0 0 -1.6396 -1.6410 1.0663 C 0 0 0 -0.3396 -1.4381 0.5089 O 0 0 0 -8.0608 -1.3313 1.4115 H 0 0 0 -7.6687 0.2260 0.6437 H 0 0 0 -7.1779 -1.2982 -0.1336 H 0 0 0 -3.4770 -2.4926 5.1128 H 0 0 0 -1.8976 -3.3178 4.8372 H 0 0 0 -3.4934 2.3656 2.0866 H 0 0 0 -1.8734 0.5687 2.4628 H 0 0 0 -6.2662 3.0321 4.3311 H 0 0 0 -5.4785 3.4941 2.9208 H 0 0 0 -2.2093 -2.3131 0.4246 H 0 0 0 -2.1565 -0.6842 1.1403 H 0 0 0 -0.4050 -1.7628 -2.4518 O 0 5 0 1 2 1 0 1 3 1 0 1 20 1 0 1 63 1 0 1 75 1 0 2 4 1 0 5 6 1 0 5 29 1 0 5 30 1 0 5 31 1 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 11 32 1 0 11 33 1 0 12 13 1 0 12 18 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 21 1 0 17 18 1 0 17 34 1 0 17 35 1 0 18 19 1 0 18 20 1 0 21 26 1 0 21 22 1 0 22 23 1 0 22 28 2 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 25 36 1 0 26 37 1 0 27 38 1 0 27 39 1 0 40 41 1 0 40 64 1 0 40 65 1 0 40 66 1 0 41 42 1 0 42 43 1 0 42 44 2 0 42 45 1 0 45 46 1 0 46 47 1 0 46 53 1 0 46 48 1 0 48 49 1 0 48 50 1 0 48 62 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 53 67 1 0 53 68 1 0 54 59 1 0 54 55 1 0 55 56 1 0 55 61 2 0 56 57 2 0 57 58 1 0 57 60 1 0 58 59 2 0 58 69 1 0 59 70 1 0 60 71 1 0 60 72 1 0 62 63 1 0 62 73 1 0 62 74 1 0 M CHG 4 3 -1 8 -1 43 -1 75 -1 M END $$$$ 5C3C_1p_i001_c005 JHcorina 12120617133D 1 1.00000 6.00000 CORINA 3.20 0003 11.05.2005 75 78 0 1 0 0 0 0 0999 V2000 1.0949 1.0887 0.6297 P 0 0 0 1.7310 2.6826 0.7434 O 0 0 0 -0.5011 1.7286 0.5865 O