Sarin_1_Rp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 20 19 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 -1.7693 -3.1996 0.6572 C 0 0 0 -0.6086 -2.3200 1.1260 C 0 0 0 0.4060 -3.1768 1.8858 C 0 0 0 0.0254 -1.7239 -0.0074 O 0 0 0 -2.2529 -3.6543 1.5218 H 0 0 0 -2.4922 -2.5892 0.1159 H 0 0 0 -1.3899 -3.9819 -0.0001 H 0 0 0 -0.9880 -1.5376 1.7833 H 0 0 0 0.7855 -3.9592 1.2285 H 0 0 0 1.2330 -2.5502 2.2199 H 0 0 0 -0.0775 -3.6315 2.7504 H 0 0 0 0.9215 0.0174 -1.6262 C 0 0 0 1.0862 1.0491 -1.9369 H 0 0 0 1.8820 -0.4842 -1.5077 H 0 0 0 0.3322 -0.5004 -2.3831 H 0 0 0 0.8508 -0.0005 1.4403 F 0 0 0 1 2 1 0 1 3 1 0 1 8 1 0 1 16 1 0 1 20 1 0 3 4 1 0 5 6 1 0 5 9 1 0 5 10 1 0 5 11 1 0 6 7 1 0 6 8 1 0 6 12 1 0 7 13 1 0 7 14 1 0 7 15 1 0 16 17 1 0 16 18 1 0 16 19 1 0 M CHG 1 2 -1 M END $$$$ Sarin_3_Sp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 20 19 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.3697 -3.1564 -1.9231 C 0 0 0 -0.6302 -2.3079 -1.1349 C 0 0 0 -1.7819 -3.1926 -0.6535 C 0 0 0 0.0254 -1.7239 -0.0074 O 0 0 0 0.7615 -3.9457 -1.2816 H 0 0 0 -0.1304 -3.6018 -2.7832 H 0 0 0 1.1902 -2.5261 -2.2661 H 0 0 0 -1.0220 -1.5185 -1.7764 H 0 0 0 -1.3900 -3.9819 -0.0120 H 0 0 0 -2.4941 -2.5880 -0.0920 H 0 0 0 -2.2819 -3.6380 -1.5135 H 0 0 0 0.8232 0.0151 -1.4521 F 0 0 0 0.9524 -0.0000 1.6125 C 0 0 0 1.1231 1.0283 1.9311 H 0 0 0 0.3776 -0.5259 2.3749 H 0 0 0 1.9104 -0.5001 1.4704 H 0 0 0 1 2 1 0 1 3 1 0 1 8 1 0 1 16 1 0 1 17 1 0 3 4 1 0 5 6 1 0 5 9 1 0 5 10 1 0 5 11 1 0 6 7 1 0 6 8 1 0 6 12 1 0 7 13 1 0 7 14 1 0 7 15 1 0 17 18 1 0 17 19 1 0 17 20 1 0 M CHG 1 2 -1 M END $$$$ Sarin_5_Rp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 20 19 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.0247 -1.6739 -0.0072 F 0 0 0 0.2556 1.2679 -3.4760 C 0 0 0 -0.0031 0.0104 -2.6437 C 0 0 0 0.2895 -1.2303 -3.4897 C 0 0 0 0.8477 0.0156 -1.4956 O 0 0 0 -0.3934 1.2639 -4.3517 H 0 0 0 0.0471 2.1518 -2.8732 H 0 0 0 1.2975 1.2838 -3.7960 H 0 0 0 -1.0450 -0.0055 -2.3237 H 0 0 0 1.3314 -1.2144 -3.8097 H 0 0 0 0.1052 -2.1262 -2.8968 H 0 0 0 -0.3595 -1.2343 -4.3654 H 0 0 0 0.9524 -0.0000 1.6125 C 0 0 0 1.5916 -0.8817 1.6594 H 0 0 0 1.5675 0.8981 1.6692 H 0 0 0 0.2521 -0.0141 2.4477 H 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 1 9 1 0 1 17 1 0 3 4 1 0 6 7 1 0 6 10 1 0 6 11 1 0 6 12 1 0 7 8 1 0 7 9 1 0 7 13 1 0 8 14 1 0 8 15 1 0 8 16 1 0 17 18 1 0 17 19 1 0 17 20 1 0 M CHG 1 2 -1 M END $$$$ Sarin_7_Sp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 20 19 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.0247 -1.6739 -0.0072 F 0 0 0 0.9215 0.0174 -1.6262 C 0 0 0 1.5596 -0.8637 -1.6948 H 0 0 0 0.2054 0.0122 -2.4479 H 0 0 0 1.5354 0.9161 -1.6850 H 0 0 0 0.3560 -1.2677 3.4742 C 0 0 0 0.0474 -0.0180 2.6473 C 0 0 0 0.3221 1.2305 3.4880 C 0 0 0 0.8762 -0.0004 1.4833 O 0 0 0 -0.2762 -1.2812 4.3621 H 0 0 0 0.1603 -2.1572 2.8753 H 0 0 0 1.4038 -1.2552 3.7744 H 0 0 0 -1.0004 -0.0306 2.3471 H 0 0 0 0.1023 2.1208 2.8989 H 0 0 0 -0.3101 1.2170 4.3758 H 0 0 0 1.3699 1.2430 3.7882 H 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 1 6 1 0 1 13 1 0 3 4 1 0 6 7 1 0 6 8 1 0 6 9 1 0 10 11 1 0 10 14 1 0 10 15 1 0 10 16 1 0 11 12 1 0 11 13 1 0 11 17 1 0 12 18 1 0 12 19 1 0 12 20 1 0 M CHG 1 2 -1 M END $$$$ Soman_1_RpRc_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 45 45 0 1 0 0 0 0 0999 V2000 -0.0025 -0.0131 0.0095 P 0 0 0 1.1097 -1.2608 0.4151 O 0 5 0 1.2709 1.1415 0.0695 O 0 0 0 2.1115 0.7839 0.3867 H 0 0 0 -1.6446 -4.7957 5.3039 C 0 0 0 -1.0119 -5.0547 3.9609 C 0 0 0 -0.4451 -6.1062 3.7502 O 0 0 0 -1.0816 -4.0341 2.9073 C 0 0 0 -1.7303 -2.8170 3.1499 C 0 0 0 -1.7926 -1.8673 2.1628 C 0 0 0 -1.2120 -2.1108 0.9226 C 0 0 0 -0.5665 -3.3179 0.6765 C 0 0 0 -0.4944 -4.2722 1.6584 C 0 0 0 -1.2759 -1.1678 -0.0505 O 0 0 0 -1.4918 -5.6600 5.9503 H 0 0 0 -1.1867 -3.9169 5.7579 H 0 0 0 -2.7131 -4.6229 5.1749 H 0 0 0 -2.1815 -2.6269 4.1126 H 0 0 0 -2.2927 -0.9283 2.3488 H 0 0 0 -0.1179 -3.5023 -0.2884 H 0 0 0 0.0110 -5.2075 1.4678 H 0 0 0 -0.9044 0.9114 1.3618 C 0 0 0 -1.9798 0.7994 1.2235 H 0 0 0 -0.6187 0.5056 2.3322 H 0 0 0 -0.6406 1.9680 1.3178 H 0 0 0 -2.2435 1.6145 -2.3413 C 0 0 0 -0.8005 1.7020 -1.8402 C 0 0 2 0.0558 2.4324 -2.8766 C 0 0 0 -0.4960 3.8433 -3.0911 C 0 0 0 1.4988 2.5199 -2.3756 C 0 0 0 0.0209 1.6646 -4.1995 C 0 0 0 -0.2851 0.3843 -1.6399 O 0 0 0 -2.8536 1.0941 -1.6030 H 0 0 0 -2.6366 2.6196 -2.4941 H 0 0 0 -2.2683 1.0675 -3.2838 H 0 0 0 -0.7756 2.2490 -0.8978 H 0 0 0 -0.4711 4.3903 -2.1486 H 0 0 0 0.1141 4.3637 -3.8294 H 0 0 0 -1.5240 3.7810 -3.4480 H 0 0 0 1.8919 1.5148 -2.2228 H 0 0 0 2.1089 3.0403 -3.1139 H 0 0 0 1.5237 3.0669 -1.4331 H 0 0 0 -1.0071 1.6023 -4.5565 H 0 0 0 0.6310 2.1850 -4.9379 H 0 0 0 0.4140 0.6595 -4.0468 H 0 0 0 1 2 1 0 1 3 1 0 1 14 1 0 1 22 1 0 1 32 1 0 3 4 1 0 5 6 1 0 5 15 1 0 5 16 1 0 5 17 1 0 6 7 2 0 6 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 10 19 1 0 11 12 2 0 11 14 1 0 12 13 1 0 12 20 1 0 13 21 1 0 22 23 1 0 22 24 1 0 22 25 1 0 26 27 1 0 26 33 1 0 26 34 1 0 26 35 1 0 27 28 1 0 27 32 1 0 27 36 1 0 28 29 1 0 28 30 1 0 28 31 1 0 29 37 1 0 29 38 1 0 29 39 1 0 30 40 1 0 30 41 1 0 30 42 1 0 31 43 1 0 31 44 1 0 31 45 1 0 M CHG 1 2 -1 M END $$$$ Soman_1_RpSc_i002_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 45 45 0 1 0 0 0 0 0999 V2000 -0.0025 -0.0131 0.0095 P 0 0 0 1.2936 -0.8754 0.7410 O 0 5 0 1.0344 1.3371 -0.2360 O 0 0 0 1.9648 1.1588 -0.0422 H 0 0 0 -1.3184 -3.3760 6.4063 C 0 0 0 -0.4501 -3.8042 5.2514 C 0 0 0 0.3768 -4.6781 5.4058 O 0 0 0 -0.6051 -3.1634 3.9391 C 0 0 0 -1.5551 -2.1503 3.7598 C 0 0 0 -1.6958 -1.5552 2.5325 C 0 0 0 -0.8965 -1.9556 1.4671 C 0 0 0 0.0484 -2.9613 1.6399 C 0 0 0 0.2005 -3.5595 2.8643 C 0 0 0 -1.0394 -1.3633 0.2549 O 0 0 0 -1.0607 -3.9591 7.2904 H 0 0 0 -1.1568 -2.3174 6.6094 H 0 0 0 -2.3659 -3.5418 6.1544 H 0 0 0 -2.1762 -1.8386 4.5865 H 0 0 0 -2.4281 -0.7737 2.3931 H 0 0 0 0.6662 -3.2691 0.8091 H 0 0 0 0.9377 -4.3373 2.9986 H 0 0 0 -1.1319 1.0450 1.0592 C 0 0 0 -2.1704 0.8147 0.8213 H 0 0 0 -0.9464 0.8393 2.1134 H 0 0 0 -0.9372 2.0978 0.8547 H 0 0 0 0.2352 1.6564 -3.2449 C 0 0 0 -0.7896 1.0664 -2.2742 C 0 0 1 -2.0764 0.7326 -3.0317 C 0 0 0 -1.7709 -0.2858 -4.1319 C 0 0 0 -3.1012 0.1425 -2.0609 C 0 0 0 -2.6437 2.0071 -3.6597 C 0 0 0 -0.2598 -0.1241 -1.6876 O 0 0 0 -0.1690 2.5644 -3.6924 H 0 0 0 1.1519 1.8942 -2.7053 H 0 0 0 0.4528 0.9309 -4.0288 H 0 0 0 -1.0073 1.7919 -1.4903 H 0 0 0 -1.3667 -1.1939 -3.6844 H 0 0 0 -2.6876 -0.5236 -4.6715 H 0 0 0 -1.0408 0.1345 -4.8235 H 0 0 0 -3.3189 0.8680 -1.2771 H 0 0 0 -4.0179 -0.0953 -2.6005 H 0 0 0 -2.6970 -0.7655 -1.6134 H 0 0 0 -1.9136 2.4275 -4.3513 H 0 0 0 -3.5604 1.7693 -4.1994 H 0 0 0 -2.8613 2.7326 -2.8759 H 0 0 0 1 2 1 0 1 3 1 0 1 14 1 0 1 22 1 0 1 32 1 0 3 4 1 0 5 6 1 0 5 15 1 0 5 16 1 0 5 17 1 0 6 7 2 0 6 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 10 19 1 0 11 12 2 0 11 14 1 0 12 13 1 0 12 20 1 0 13 21 1 0 22 23 1 0 22 24 1 0 22 25 1 0 26 27 1 0 26 33 1 0 26 34 1 0 26 35 1 0 27 28 1 0 27 32 1 0 27 36 1 0 28 29 1 0 28 30 1 0 28 31 1 0 29 37 1 0 29 38 1 0 29 39 1 0 30 40 1 0 30 41 1 0 30 42 1 0 31 43 1 0 31 44 1 0 31 45 1 0 M CHG 1 2 -1 M END $$$$ Soman_3_SpRc_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 45 45 0 1 0 0 0 0 0999 V2000 -0.0036 0.0108 -0.0051 P 0 0 0 1.1117 -0.2277 -1.2926 O 0 5 0 1.0307 1.2083 0.6691 O 0 0 0 1.9444 0.9159 0.7901 H 0 0 0 -0.2815 -1.9278 -7.0705 C 0 0 0 -1.2621 -1.1136 -6.2663 C 0 0 0 -2.0997 -0.4422 -6.8309 O 0 0 0 -1.2035 -1.1331 -4.7990 C 0 0 0 -0.2337 -1.9029 -4.1448 C 0 0 0 -0.1832 -1.9176 -2.7746 C 0 0 0 -1.0924 -1.1691 -2.0347 C 0 0 0 -2.0575 -0.4029 -2.6796 C 0 0 0 -2.1134 -0.3774 -4.0494 C 0 0 0 -1.0379 -1.1867 -0.6793 O 0 0 0 -0.4786 -1.7878 -8.1333 H 0 0 0 0.7336 -1.6023 -6.8431 H 0 0 0 -0.3905 -2.9822 -6.8166 H 0 0 0 0.4728 -2.4845 -4.7184 H 0 0 0 0.5643 -2.5110 -2.2691 H 0 0 0 -2.7616 0.1761 -2.1005 H 0 0 0 -2.8604 0.2214 -4.5493 H 0 0 0 1.0016 -0.3060 3.6060 C 0 0 0 -0.1692 -0.1922 2.6276 C 0 0 2 -1.4302 -0.7719 3.2716 C 0 0 0 -1.7549 0.0064 4.5482 C 0 0 0 -2.6010 -0.6581 2.2932 C 0 0 0 -1.1958 -2.2438 3.6173 C 0 0 0 0.1340 -0.9191 1.4353 O 0 0 0 1.1686 -1.3546 3.8523 H 0 0 0 1.8999 0.1070 3.1473 H 0 0 0 0.7703 0.2484 4.5155 H 0 0 0 -0.3362 0.8564 2.3813 H 0 0 0 -1.9219 1.0550 4.3019 H 0 0 0 -2.6532 -0.4066 5.0070 H 0 0 0 -0.9208 -0.0747 5.2452 H 0 0 0 -2.3697 -1.2125 1.3837 H 0 0 0 -3.4993 -1.0711 2.7520 H 0 0 0 -2.7680 0.3905 2.0469 H 0 0 0 -0.3617 -2.3249 4.3144 H 0 0 0 -2.0941 -2.6568 4.0761 H 0 0 0 -0.9645 -2.7983 2.7078 H 0 0 0 -1.3659 1.2810 -0.1713 C 0 0 0 -2.3253 0.8169 0.0574 H 0 0 0 -1.1844 2.1014 0.5230 H 0 0 0 -1.3820 1.6651 -1.1913 H 0 0 0 1 2 1 0 1 3 1 0 1 14 1 0 1 28 1 0 1 42 1 0 3 4 1 0 5 6 1 0 5 15 1 0 5 16 1 0 5 17 1 0 6 7 2 0 6 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 10 19 1 0 11 12 2 0 11 14 1 0 12 13 1 0 12 20 1 0 13 21 1 0 22 23 1 0 22 29 1 0 22 30 1 0 22 31 1 0 23 24 1 0 23 28 1 0 23 32 1 0 24 25 1 0 24 26 1 0 24 27 1 0 25 33 1 0 25 34 1 0 25 35 1 0 26 36 1 0 26 37 1 0 26 38 1 0 27 39 1 0 27 40 1 0 27 41 1 0 42 43 1 0 42 44 1 0 42 45 1 0 M CHG 1 2 -1 M END $$$$ Soman_3_SpSc_i002_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 45 45 0 1 0 0 0 0 0999 V2000 -0.0036 0.0108 -0.0051 P 0 0 0 1.0038 -0.2930 -1.3657 O 0 5 0 1.1827 1.0793 0.6348 O 0 0 0 2.0675 0.6939 0.6951 H 0 0 0 -1.0501 -1.5663 -7.1017 C 0 0 0 -1.8454 -0.6729 -6.1850 C 0 0 0 -2.6275 0.1298 -6.6488 O 0 0 0 -1.6735 -0.7743 -4.7300 C 0 0 0 -0.7670 -1.6962 -4.1921 C 0 0 0 -0.6103 -1.7868 -2.8330 C 0 0 0 -1.3490 -0.9645 -1.9890 C 0 0 0 -2.2507 -0.0472 -2.5180 C 0 0 0 -2.4114 0.0548 -3.8760 C 0 0 0 -1.1899 -1.0577 -0.6449 O 0 0 0 -1.3103 -1.3481 -8.1374 H 0 0 0 0.0144 -1.3880 -6.9492 H 0 0 0 -1.2790 -2.6090 -6.8815 H 0 0 0 -0.1928 -2.3352 -4.8467 H 0 0 0 0.0886 -2.4974 -2.4171 H 0 0 0 -2.8225 0.5886 -1.8583 H 0 0 0 -3.1085 0.7705 -4.2860 H 0 0 0 -1.4897 -0.4369 3.1128 C 0 0 0 -0.0496 -0.2641 2.6259 C 0 0 1 0.9142 -0.8166 3.6780 C 0 0 0 0.6266 -2.3024 3.9030 C 0 0 0 2.3543 -0.6438 3.1912 C 0 0 0 0.7253 -0.0559 4.9920 C 0 0 0 0.1268 -0.9746 1.3986 O 0 0 0 -1.6946 -1.4954 3.2730 H 0 0 0 -1.6243 0.1050 4.0489 H 0 0 0 -2.1763 -0.0433 2.3632 H 0 0 0 0.1553 0.7944 2.4657 H 0 0 0 0.7611 -2.8443 2.9668 H 0 0 0 1.3132 -2.6959 4.6525 H 0 0 0 -0.3994 -2.4254 4.2498 H 0 0 0 2.5592 0.4147 3.0309 H 0 0 0 3.0409 -1.0374 3.9407 H 0 0 0 2.4888 -1.1857 2.2550 H 0 0 0 -0.3007 -0.1790 5.3389 H 0 0 0 1.4119 -0.4495 5.7416 H 0 0 0 0.9302 1.0026 4.8318 H 0 0 0 -1.2407 1.4123 -0.0520 C 0 0 0 -2.2364 1.0255 0.1650 H 0 0 0 -0.9710 2.1601 0.6937 H 0 0 0 -1.2359 1.8682 -1.0421 H 0 0 0 1 2 1 0 1 3 1 0 1 14 1 0 1 28 1 0 1 42 1 0 3 4 1 0 5 6 1 0 5 15 1 0 5 16 1 0 5 17 1 0 6 7 2 0 6 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 10 19 1 0 11 12 2 0 11 14 1 0 12 13 1 0 12 20 1 0 13 21 1 0 22 23 1 0 22 29 1 0 22 30 1 0 22 31 1 0 23 24 1 0 23 28 1 0 23 32 1 0 24 25 1 0 24 26 1 0 24 27 1 0 25 33 1 0 25 34 1 0 25 35 1 0 26 36 1 0 26 37 1 0 26 38 1 0 27 39 1 0 27 40 1 0 27 41 1 0 42 43 1 0 42 44 1 0 42 45 1 0 M CHG 1 2 -1 M END $$$$ Tabun_1_Sp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 23 22 0 1 0 0 0 0 0999 V2000 0.1315 0.0086 -0.0674 P 0 0 0 1.2979 1.2375 0.2289 O 0 5 0 -0.6780 1.0443 -1.1766 O 0 0 0 -0.6151 1.9836 -0.9554 H 0 0 0 2.9132 -2.2378 1.7383 C 0 0 0 2.2954 -1.3135 0.6872 C 0 0 0 0.9410 -1.0271 1.0418 O 0 0 0 2.3453 -3.1671 1.7838 H 0 0 0 3.9463 -2.4563 1.4679 H 0 0 0 2.8882 -1.7487 2.7121 H 0 0 0 2.8633 -0.3843 0.6417 H 0 0 0 2.3204 -1.8027 -0.2865 H 0 0 0 -1.7295 1.2453 1.4646 C 0 0 0 -1.3670 -0.0796 0.9439 N 0 0 0 -2.4790 -0.6699 0.1869 C 0 0 0 -2.5262 1.1408 2.2011 H 0 0 0 -0.8582 1.7019 1.9343 H 0 0 0 -2.0729 1.8764 0.6449 H 0 0 0 -2.7319 -0.0218 -0.6522 H 0 0 0 -2.1838 -1.6502 -0.1873 H 0 0 0 -3.3464 -0.7758 0.8385 H 0 0 0 0.4116 -1.2363 -1.4344 C 0 0 0 0.5818 -1.9926 -2.2648 N 0 0 0 1 2 1 0 1 3 1 0 1 7 1 0 1 14 1 0 1 22 1 0 3 4 1 0 5 6 1 0 5 8 1 0 5 9 1 0 5 10 1 0 6 7 1 0 6 11 1 0 6 12 1 0 13 14 1 0 13 16 1 0 13 17 1 0 13 18 1 0 14 15 1 0 15 19 1 0 15 20 1 0 15 21 1 0 22 23 3 0 M CHG 1 2 -1 M END $$$$ Tabun_3_Rp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 23 22 0 1 0 0 0 0 0999 V2000 0.4696 0.0089 0.2471 P 0 0 0 0.9192 1.3811 -0.6874 O 0 5 0 -0.3565 1.0336 1.3543 O 0 0 0 0.1525 1.8091 1.6273 H 0 0 0 3.3212 -1.7031 -1.9850 C 0 0 0 2.6921 -0.7366 -0.9797 C 0 0 0 1.2957 -1.0159 -0.8601 O 0 0 0 2.8417 -1.5803 -2.9561 H 0 0 0 4.3863 -1.4901 -2.0762 H 0 0 0 3.1839 -2.7276 -1.6390 H 0 0 0 3.1716 -0.8594 -0.0085 H 0 0 0 2.8294 0.2879 -1.3257 H 0 0 0 1.5811 -0.5869 1.6278 C 0 0 0 2.2564 -0.9489 2.4666 N 0 0 0 -1.5857 -1.5405 1.0926 C 0 0 0 -1.0793 -0.8585 -0.1059 N 0 0 0 -2.0853 0.0620 -0.6524 C 0 0 0 -2.4785 -2.1108 0.8362 H 0 0 0 -0.8212 -2.2157 1.4768 H 0 0 0 -1.8333 -0.8010 1.8542 H 0 0 0 -2.3395 0.8100 0.0985 H 0 0 0 -1.6830 0.5567 -1.5365 H 0 0 0 -2.9800 -0.4979 -0.9249 H 0 0 0 1 2 1 0 1 3 1 0 1 7 1 0 1 13 1 0 1 16 1 0 3 4 1 0 5 6 1 0 5 8 1 0 5 9 1 0 5 10 1 0 6 7 1 0 6 11 1 0 6 12 1 0 13 14 3 0 15 16 1 0 15 18 1 0 15 19 1 0 15 20 1 0 16 17 1 0 17 21 1 0 17 22 1 0 17 23 1 0 M CHG 1 2 -1 M END $$$$ Soman_5_RpRc_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 45 45 0 1 0 0 0 0 0999 V2000 0.2425 -0.1035 0.0208 P 0 0 0 0.9350 0.8575 -1.2263 O 0 5 0 0.6652 1.0954 1.1794 O 0 0 0 1.6143 1.2726 1.2337 H 0 0 0 -2.2916 -1.4544 -2.3038 C 0 0 0 -0.9108 -0.7970 -2.2571 C 0 0 2 -0.1512 -1.1138 -3.5469 C 0 0 0 -0.9334 -0.5727 -4.7454 C 0 0 0 1.2296 -0.4564 -3.5002 C 0 0 0 0.0097 -2.6290 -3.6850 C 0 0 0 -0.1802 -1.3024 -1.1377 O 0 0 0 -2.8391 -1.2146 -1.3923 H 0 0 0 -2.8424 -1.0816 -3.1673 H 0 0 0 -2.1768 -2.5353 -2.3850 H 0 0 0 -1.0254 0.2825 -2.1587 H 0 0 0 -1.0481 0.5068 -4.6470 H 0 0 0 -0.3923 -0.7983 -5.6643 H 0 0 0 -1.9171 -1.0410 -4.7786 H 0 0 0 1.7868 -0.8419 -2.6464 H 0 0 0 1.7707 -0.6821 -4.4191 H 0 0 0 1.1149 0.6231 -3.4018 H 0 0 0 -0.9740 -3.0973 -3.7183 H 0 0 0 0.5508 -2.8547 -4.6039 H 0 0 0 0.5669 -3.0145 -2.8312 H 0 0 0 3.0571 0.7194 6.7455 C 0 0 0 3.7438 0.7874 5.4058 C 0 0 0 4.8461 1.2851 5.3139 O 0 0 0 3.0785 0.2511 4.2115 C 0 0 0 1.8034 -0.3188 4.3138 C 0 0 0 1.1865 -0.8181 3.1956 C 0 0 0 1.8245 -0.7584 1.9613 C 0 0 0 3.0909 -0.1935 1.8542 C 0 0 0 3.7145 0.3130 2.9654 C 0 0 0 1.2097 -1.2534 0.8579 O 0 0 0 2.4627 1.6207 6.8953 H 0 0 0 2.4061 -0.1544 6.7761 H 0 0 0 3.8056 0.6426 7.5340 H 0 0 0 1.3071 -0.3656 5.2719 H 0 0 0 0.2031 -1.2578 3.2735 H 0 0 0 3.5824 -0.1502 0.8935 H 0 0 0 4.6960 0.7556 2.8804 H 0 0 0 -1.5619 0.1019 0.4666 C 0 0 0 -1.6462 0.6989 1.3747 H 0 0 0 -2.0826 0.6047 -0.3484 H 0 0 0 -2.0088 -0.8782 0.6334 H 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 34 1 0 1 42 1 0 3 4 1 0 5 6 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 7 1 0 6 11 1 0 6 15 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 25 26 1 0 25 35 1 0 25 36 1 0 25 37 1 0 26 27 2 0 26 28 1 0 28 33 2 0 28 29 1 0 29 30 2 0 29 38 1 0 30 31 1 0 30 39 1 0 31 32 2 0 31 34 1 0 32 33 1 0 32 40 1 0 33 41 1 0 42 43 1 0 42 44 1 0 42 45 1 0 M CHG 1 2 -1 M END $$$$ Soman_5_RpSc_i002_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 45 45 0 1 0 0 0 0 0999 V2000 -0.7518 0.4246 -0.0463 P 0 0 0 -0.1387 1.7966 -0.8830 O 0 5 0 -1.6271 1.4608 1.0113 O 0 0 0 -1.0704 2.0718 1.5131 H 0 0 0 -0.6175 0.5801 -3.0715 C 0 0 0 -0.4844 -0.7813 -2.3860 C 0 0 1 0.3849 -1.7019 -3.2449 C 0 0 0 1.8131 -1.1552 -3.2937 C 0 0 0 0.3967 -3.1057 -2.6366 C 0 0 0 -0.1856 -1.7653 -4.6631 C 0 0 0 0.1234 -0.6116 -1.1040 O 0 0 0 -0.8283 0.4344 -4.1310 H 0 0 0 -1.4325 1.1399 -2.6126 H 0 0 0 0.3134 1.1359 -2.9594 H 0 0 0 -1.4726 -1.2247 -2.2638 H 0 0 0 2.2196 -1.1101 -2.2833 H 0 0 0 2.4325 -1.8111 -3.9055 H 0 0 0 1.8047 -0.1551 -3.7270 H 0 0 0 -0.6158 -3.5093 -2.6345 H 0 0 0 1.0444 -3.7526 -3.2283 H 0 0 0 0.7699 -3.0554 -1.6137 H 0 0 0 -0.1940 -0.7651 -5.0964 H 0 0 0 0.4337 -2.4211 -5.2749 H 0 0 0 -1.2031 -2.1547 -4.6283 H 0 0 0 -2.4610 1.3843 7.0231 C 0 0 0 -1.3533 2.0074 6.2134 C 0 0 0 -0.7791 2.9921 6.6279 O 0 0 0 -0.9691 1.4224 4.9223 C 0 0 0 -1.6343 0.2890 4.4386 C 0 0 0 -1.2718 -0.2533 3.2326 C 0 0 0 -0.2459 0.3209 2.4895 C 0 0 0 0.4180 1.4466 2.9652 C 0 0 0 0.0599 1.9996 4.1678 C 0 0 0 0.1087 -0.2192 1.2966 O 0 0 0 -3.4134 1.8340 6.7426 H 0 0 0 -2.4942 0.3122 6.8289 H 0 0 0 -2.2766 1.5559 8.0836 H 0 0 0 -2.4311 -0.1576 5.0149 H 0 0 0 -1.7842 -1.1274 2.8587 H 0 0 0 1.2144 1.8883 2.3847 H 0 0 0 0.5730 2.8764 4.5343 H 0 0 0 -2.3541 -0.3671 -0.5967 C 0 0 0 -3.1670 -0.0256 0.0442 H 0 0 0 -2.5626 -0.0858 -1.6289 H 0 0 0 -2.2667 -1.4513 -0.5261 H 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 34 1 0 1 42 1 0 3 4 1 0 5 6 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 7 1 0 6 11 1 0 6 15 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 25 26 1 0 25 35 1 0 25 36 1 0 25 37 1 0 26 27 2 0 26 28 1 0 28 33 2 0 28 29 1 0 29 30 2 0 29 38 1 0 30 31 1 0 30 39 1 0 31 32 2 0 31 34 1 0 32 33 1 0 32 40 1 0 33 41 1 0 42 43 1 0 42 44 1 0 42 45 1 0 M CHG 1 2 -1 M END $$$$ Soman_7_SpRc_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 45 45 0 1 0 0 0 0 0999 V2000 0.2450 -0.2982 -0.1059 P 0 0 0 1.6472 0.1877 0.7638 O 0 5 0 0.2272 1.2153 -0.9228 O 0 0 0 1.0262 1.3940 -1.4373 H 0 0 0 0.4437 -0.4440 2.6952 C 0 0 0 -0.1119 -1.7336 2.0878 C 0 0 2 0.4568 -2.9382 2.8403 C 0 0 0 -0.0487 -2.9226 4.2843 C 0 0 0 0.0028 -4.2286 2.1549 C 0 0 0 1.9852 -2.8680 2.8343 C 0 0 0 0.2629 -1.8118 0.7110 O 0 0 0 0.2023 -0.4093 3.7575 H 0 0 0 1.5259 -0.4191 2.5675 H 0 0 0 -0.0012 0.4152 2.1932 H 0 0 0 -1.1989 -1.7346 2.1690 H 0 0 0 -1.1376 -2.9726 4.2886 H 0 0 0 0.3565 -3.7807 4.8204 H 0 0 0 0.2747 -2.0033 4.7726 H 0 0 0 0.4299 -4.2776 1.1533 H 0 0 0 0.3402 -5.0868 2.7361 H 0 0 0 -1.0850 -4.2406 2.0872 H 0 0 0 2.3087 -1.9488 3.3226 H 0 0 0 2.3904 -3.7262 3.3705 H 0 0 0 2.3454 -2.8792 1.8056 H 0 0 0 -1.4550 0.0561 0.5878 C 0 0 0 -2.0588 0.5576 -0.1686 H 0 0 0 -1.9338 -0.8808 0.8724 H 0 0 0 -1.3633 0.6982 1.4639 H 0 0 0 1.8885 2.8390 -6.5306 C 0 0 0 0.5672 2.3120 -6.0332 C 0 0 0 -0.4616 2.6304 -6.5914 O 0 0 0 0.5250 1.4130 -4.8728 C 0 0 0 1.7107 1.0485 -4.2230 C 0 0 0 1.6659 0.2088 -3.1399 C 0 0 0 0.4455 -0.2800 -2.6859 C 0 0 0 -0.7350 0.0789 -3.3277 C 0 0 0 -0.7016 0.9219 -4.4086 C 0 0 0 0.4066 -1.1101 -1.6136 O 0 0 0 2.1190 3.7770 -6.0254 H 0 0 0 2.6722 2.1111 -6.3205 H 0 0 0 1.8301 3.0100 -7.6055 H 0 0 0 2.6589 1.4275 -4.5747 H 0 0 0 2.5798 -0.0730 -2.6380 H 0 0 0 -1.6800 -0.3039 -2.9716 H 0 0 0 -1.6192 1.2036 -4.9035 H 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 25 1 0 1 38 1 0 3 4 1 0 5 6 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 7 1 0 6 11 1 0 6 15 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 25 26 1 0 25 27 1 0 25 28 1 0 29 30 1 0 29 39 1 0 29 40 1 0 29 41 1 0 30 31 2 0 30 32 1 0 32 37 2 0 32 33 1 0 33 34 2 0 33 42 1 0 34 35 1 0 34 43 1 0 35 36 2 0 35 38 1 0 36 37 1 0 36 44 1 0 37 45 1 0 M CHG 1 2 -1 M END $$$$ Soman_7_SpSc_i002_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 45 45 0 1 0 0 0 0 0999 V2000 -0.2289 0.0754 0.0870 P 0 0 0 0.4820 1.2590 1.1127 O 0 5 0 -0.0129 1.1170 -1.2646 O 0 0 0 0.9091 1.3534 -1.4356 H 0 0 0 -2.3567 -0.9284 2.9165 C 0 0 0 -0.9918 -0.3192 2.5894 C 0 0 1 -0.0491 -0.5117 3.7789 C 0 0 0 0.1144 -2.0061 4.0635 C 0 0 0 1.3158 0.0975 3.4518 C 0 0 0 -0.6346 0.1810 5.0111 C 0 0 0 -0.4449 -0.9662 1.4386 O 0 0 0 -3.0376 -0.7637 2.0815 H 0 0 0 -2.2449 -1.9989 3.0886 H 0 0 0 -2.7598 -0.4565 3.8126 H 0 0 0 -1.1083 0.7454 2.3867 H 0 0 0 0.5316 -2.4996 3.1857 H 0 0 0 0.7861 -2.1433 4.9109 H 0 0 0 -0.8579 -2.4401 4.2965 H 0 0 0 1.1993 1.1621 3.2491 H 0 0 0 1.9874 -0.0397 4.2993 H 0 0 0 1.7329 -0.3960 2.5740 H 0 0 0 -1.6070 -0.2530 5.2442 H 0 0 0 0.0370 0.0438 5.8586 H 0 0 0 -0.7511 1.2456 4.8084 H 0 0 0 -2.0759 0.0794 -0.2052 C 0 0 0 -2.2932 0.5765 -1.1506 H 0 0 0 -2.4401 -0.9473 -0.2425 H 0 0 0 -2.5712 0.6112 0.6072 H 0 0 0 4.0275 1.1301 -5.7944 C 0 0 0 2.7068 0.4125 -5.6852 C 0 0 0 2.0662 0.1658 -6.6852 O 0 0 0 2.1955 0.0118 -4.3681 C 0 0 0 2.9304 0.3006 -3.2116 C 0 0 0 2.4485 -0.0756 -1.9843 C 0 0 0 1.2316 -0.7421 -1.8867 C 0 0 0 0.4978 -1.0313 -3.0322 C 0 0 0 0.9685 -0.6551 -4.2640 C 0 0 0 0.7590 -1.1117 -0.6700 O 0 0 0 3.8626 2.2058 -5.7338 H 0 0 0 4.6800 0.8160 -4.9797 H 0 0 0 4.4951 0.8874 -6.7486 H 0 0 0 3.8754 0.8181 -3.2863 H 0 0 0 3.0144 0.1466 -1.0917 H 0 0 0 -0.4462 -1.5496 -2.9512 H 0 0 0 0.3958 -0.8761 -5.1525 H 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 25 1 0 1 38 1 0 3 4 1 0 5 6 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 7 1 0 6 11 1 0 6 15 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 25 26 1 0 25 27 1 0 25 28 1 0 29 30 1 0 29 39 1 0 29 40 1 0 29 41 1 0 30 31 2 0 30 32 1 0 32 37 2 0 32 33 1 0 33 34 2 0 33 42 1 0 34 35 1 0 34 43 1 0 35 36 2 0 35 38 1 0 36 37 1 0 36 44 1 0 37 45 1 0 M CHG 1 2 -1 M END $$$$ VX_1_Sp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 44 43 0 1 0 0 0 0 0999 V2000 1.0830 -0.3915 1.2021 P 0 0 0 1.7870 -1.4116 0.0096 O 0 5 0 2.1845 0.8607 0.7813 O 0 0 0 3.0671 0.7522 1.1611 H 0 0 0 -1.7087 -3.2573 1.0066 C 0 0 0 -0.7798 -2.1426 0.5213 C 0 0 0 -0.0185 -1.6437 1.6229 O 0 0 0 -1.1145 -4.0654 1.4332 H 0 0 0 -2.3839 -2.8629 1.7659 H 0 0 0 -2.2894 -3.6379 0.1663 H 0 0 0 -0.1046 -2.5371 -0.2380 H 0 0 0 -1.3740 -1.3345 0.0947 H 0 0 0 0.0872 4.4092 6.2702 C 0 0 0 0.2249 2.9346 5.8864 C 0 0 0 -0.4996 2.0690 6.9192 C 0 0 0 -0.3695 2.7160 4.5609 N 0 0 0 -0.0532 1.3728 4.0571 C 0 0 0 1.4517 1.2645 3.8036 C 0 0 0 1.8423 -0.3942 3.1815 S 0 0 0 -1.8212 2.9383 4.5918 C 0 0 0 -2.3060 3.3365 3.1963 C 0 0 0 -2.5250 1.6518 5.0283 C 0 0 0 0.6262 4.5947 7.1992 H 0 0 0 0.5038 5.0313 5.4779 H 0 0 0 -0.9665 4.6523 6.4068 H 0 0 0 1.2801 2.6628 5.8607 H 0 0 0 -1.4969 2.4720 7.0956 H 0 0 0 -0.5811 1.0485 6.5451 H 0 0 0 0.0629 2.0699 7.8528 H 0 0 0 -0.3518 0.6283 4.7952 H 0 0 0 -0.5921 1.1978 3.1260 H 0 0 0 1.7503 2.0090 3.0655 H 0 0 0 1.9906 1.4395 4.7347 H 0 0 0 -2.0517 3.7361 5.2979 H 0 0 0 -3.3606 3.6083 3.2419 H 0 0 0 -1.7264 4.1880 2.8396 H 0 0 0 -2.1764 2.4970 2.5133 H 0 0 0 -2.2055 1.3869 6.0362 H 0 0 0 -3.6040 1.8065 5.0181 H 0 0 0 -2.2671 0.8456 4.3417 H 0 0 0 -0.3522 0.7199 0.7527 C 0 0 0 -1.2842 0.2612 1.0828 H 0 0 0 -0.2300 1.6866 1.2413 H 0 0 0 -0.3789 0.8598 -0.3279 H 0 0 0 1 2 1 0 1 3 1 0 1 7 1 0 1 19 1 0 1 41 1 0 3 4 1 0 5 6 1 0 5 8 1 0 5 9 1 0 5 10 1 0 6 7 1 0 6 11 1 0 6 12 1 0 13 14 1 0 13 23 1 0 13 24 1 0 13 25 1 0 14 15 1 0 14 16 1 0 14 26 1 0 15 27 1 0 15 28 1 0 15 29 1 0 16 17 1 0 16 20 1 0 17 18 1 0 17 30 1 0 17 31 1 0 18 19 1 0 18 32 1 0 18 33 1 0 20 21 1 0 20 22 1 0 20 34 1 0 21 35 1 0 21 36 1 0 21 37 1 0 22 38 1 0 22 39 1 0 22 40 1 0 41 42 1 0 41 43 1 0 41 44 1 0 M CHG 1 2 -1 M END $$$$ VX_3_Rp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 44 43 0 1 0 0 0 0 0999 V2000 1.0121 -0.2319 -3.7828 P 0 0 0 -0.3695 -0.5394 -4.7601 O 0 5 0 0.4796 1.3853 -3.5388 O 0 0 0 -0.4397 1.4569 -3.2474 H 0 0 0 1.7974 -3.7748 -5.4649 C 0 0 0 1.1048 -2.4264 -5.2578 C 0 0 0 1.5445 -1.8492 -4.0268 O 0 0 0 2.8769 -3.6276 -5.4978 H 0 0 0 1.5466 -4.4425 -4.6406 H 0 0 0 1.4620 -4.2151 -6.4039 H 0 0 0 1.3556 -1.7588 -6.0821 H 0 0 0 0.0253 -2.5736 -5.2250 H 0 0 0 2.5872 0.4046 -4.5642 C 0 0 0 3.0025 1.2016 -3.9474 H 0 0 0 3.3089 -0.4087 -4.6413 H 0 0 0 2.3684 0.7918 -5.5593 H 0 0 0 1.4880 3.9154 -0.3429 C 0 0 0 1.4957 3.2347 1.0273 C 0 0 0 1.3642 4.2937 2.1237 C 0 0 0 0.3682 2.2970 1.1146 N 0 0 0 0.7229 0.9923 0.5402 C 0 0 0 0.6734 1.0768 -0.9867 C 0 0 0 0.9292 -0.5746 -1.6923 S 0 0 0 -0.0912 2.1538 2.5025 C 0 0 0 -1.4221 1.3994 2.5239 C 0 0 0 0.9505 1.3734 3.3066 C 0 0 0 0.5308 4.4138 -0.4956 H 0 0 0 2.2916 4.6504 -0.3879 H 0 0 0 1.6362 3.1669 -1.1213 H 0 0 0 2.4313 2.6910 1.1577 H 0 0 0 0.4286 4.8375 1.9933 H 0 0 0 1.3697 3.8088 3.0998 H 0 0 0 2.2008 4.9895 2.0589 H 0 0 0 1.7292 0.7176 0.8564 H 0 0 0 0.0151 0.2388 0.8855 H 0 0 0 -0.2990 1.4584 -1.2981 H 0 0 0 1.4568 1.7478 -1.3390 H 0 0 0 -0.2261 3.1411 2.9443 H 0 0 0 -1.2833 0.4057 2.0979 H 0 0 0 -1.7715 1.3082 3.5523 H 0 0 0 -2.1595 1.9467 1.9368 H 0 0 0 1.8926 1.9216 3.3096 H 0 0 0 0.5997 1.2482 4.3310 H 0 0 0 1.1014 0.3942 2.8521 H 0 0 0 1 2 1 0 1 3 1 0 1 7 1 0 1 13 1 0 1 23 1 0 3 4 1 0 5 6 1 0 5 8 1 0 5 9 1 0 5 10 1 0 6 7 1 0 6 11 1 0 6 12 1 0 13 14 1 0 13 15 1 0 13 16 1 0 17 18 1 0 17 27 1 0 17 28 1 0 17 29 1 0 18 19 1 0 18 20 1 0 18 30 1 0 19 31 1 0 19 32 1 0 19 33 1 0 20 21 1 0 20 24 1 0 21 22 1 0 21 34 1 0 21 35 1 0 22 23 1 0 22 36 1 0 22 37 1 0 24 25 1 0 24 26 1 0 24 38 1 0 25 39 1 0 25 40 1 0 25 41 1 0 26 42 1 0 26 43 1 0 26 44 1 0 M CHG 1 2 -1 M END $$$$ Tabun_5_Sp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 23 22 0 1 0 0 0 0 0999 V2000 -0.1143 0.0043 -0.0699 P 0 0 0 1.3705 -0.0092 0.7981 O 0 5 0 -0.1006 1.7242 -0.0667 O 0 0 0 0.7749 2.1103 0.0728 H 0 0 0 1.0087 -2.3398 -0.8340 C 0 0 0 -0.1288 -1.8057 -0.0732 N 0 0 0 -0.1403 -2.3346 1.2972 C 0 0 0 0.9373 -3.4265 -0.8794 H 0 0 0 0.9932 -1.9322 -1.8448 H 0 0 0 1.9395 -2.0571 -0.3424 H 0 0 0 0.7496 -1.9931 1.8260 H 0 0 0 -1.0303 -1.9789 1.8165 H 0 0 0 -0.1489 -3.4241 1.2662 H 0 0 0 -1.7387 0.0155 0.8564 C 0 0 0 -2.7256 0.0224 1.4192 N 0 0 0 -0.0464 1.1948 -3.8939 C 0 0 0 -0.0506 1.3128 -2.3685 C 0 0 0 -0.1051 0.0073 -1.7899 O 0 0 0 -0.9549 0.6897 -4.2217 H 0 0 0 -0.0048 2.1906 -4.3352 H 0 0 0 0.8236 0.6200 -4.2114 H 0 0 0 0.8580 1.8179 -2.0406 H 0 0 0 -0.9205 1.8876 -2.0509 H 0 0 0 1 2 1 0 1 3 1 0 1 6 1 0 1 14 1 0 1 18 1 0 3 4 1 0 5 6 1 0 5 8 1 0 5 9 1 0 5 10 1 0 6 7 1 0 7 11 1 0 7 12 1 0 7 13 1 0 14 15 3 0 16 17 1 0 16 19 1 0 16 20 1 0 16 21 1 0 17 18 1 0 17 22 1 0 17 23 1 0 M CHG 1 2 -1 M END $$$$ Tabun_7_Rp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 23 22 0 1 0 0 0 0 0999 V2000 0.1224 0.0074 -0.0627 P 0 0 0 0.4658 -0.9367 1.3334 O 0 5 0 -1.0082 0.9350 0.8428 O 0 0 0 -1.5641 0.4094 1.4342 H 0 0 0 2.6582 -0.8705 -0.4353 C 0 0 0 1.3122 -0.9687 -1.0155 N 0 0 0 0.8831 -2.3700 -1.1157 C 0 0 0 3.3532 -1.4662 -1.0271 H 0 0 0 2.9795 0.1711 -0.4371 H 0 0 0 2.6405 -1.2435 0.5887 H 0 0 0 0.8688 -2.8176 -0.1220 H 0 0 0 -0.1165 -2.4139 -1.5483 H 0 0 0 1.5784 -2.9183 -1.7513 H 0 0 0 -2.3759 -0.1610 -3.1862 C 0 0 0 -1.3344 0.4256 -2.2313 C 0 0 0 -1.1317 -0.4718 -1.1378 O 0 0 0 -2.0227 -1.1204 -3.5642 H 0 0 0 -3.3166 -0.3040 -2.6545 H 0 0 0 -2.5305 0.5235 -4.0203 H 0 0 0 -0.3937 0.5687 -2.7630 H 0 0 0 -1.6876 1.3850 -1.8533 H 0 0 0 1.1125 1.5549 -0.4116 C 0 0 0 1.7140 2.4950 -0.6235 N 0 0 0 1 2 1 0 1 3 1 0 1 6 1 0 1 16 1 0 1 22 1 0 3 4 1 0 5 6 1 0 5 8 1 0 5 9 1 0 5 10 1 0 6 7 1 0 7 11 1 0 7 12 1 0 7 13 1 0 14 15 1 0 14 17 1 0 14 18 1 0 14 19 1 0 15 16 1 0 15 20 1 0 15 21 1 0 22 23 3 0 M CHG 1 2 -1 M END $$$$ Tabun_9_Sp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 23 22 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.0274 -1.8739 -0.0083 C 0 0 0 0.0428 -3.0097 -0.0145 N 0 0 0 0.8519 0.0290 -3.9123 C 0 0 0 -0.0031 0.0104 -2.6437 C 0 0 0 0.8477 0.0156 -1.4956 O 0 0 0 0.2029 0.0250 -4.7880 H 0 0 0 1.4690 0.9275 -3.9214 H 0 0 0 1.4931 -0.8523 -3.9312 H 0 0 0 -0.6443 0.8917 -2.6247 H 0 0 0 -0.6202 -0.8881 -2.6345 H 0 0 0 0.0085 -0.0189 2.7112 C 0 0 0 0.9219 -0.0002 1.5609 N 0 0 0 1.8645 -1.1254 1.6187 C 0 0 0 0.5873 -0.0161 3.6348 H 0 0 0 -0.6319 0.8627 2.6810 H 0 0 0 -0.6077 -0.9171 2.6712 H 0 0 0 1.3106 -2.0642 1.6100 H 0 0 0 2.5290 -1.0875 0.7555 H 0 0 0 2.4533 -1.0595 2.5337 H 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 1 9 1 0 1 16 1 0 3 4 1 0 5 6 3 0 7 8 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 9 1 0 8 13 1 0 8 14 1 0 15 16 1 0 15 18 1 0 15 19 1 0 15 20 1 0 16 17 1 0 17 21 1 0 17 22 1 0 17 23 1 0 M CHG 1 2 -1 M END $$$$ Tabun_11_Rp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 23 22 0 1 0 0 0 0 0999 V2000 0.1543 -0.0884 -0.0303 P 0 0 0 -1.2658 -0.7306 0.6971 O 0 5 0 -0.4846 1.5009 0.1255 O 0 0 0 0.1892 2.1931 0.1705 H 0 0 0 0.8490 -1.8163 -0.1996 C 0 0 0 1.2710 -2.8659 -0.3025 N 0 0 0 -1.0984 0.3669 -2.3889 C 0 0 0 0.2361 0.1205 -1.8263 N 0 0 0 1.1674 1.1970 -2.1893 C 0 0 0 -1.0204 0.4887 -3.4693 H 0 0 0 -1.7490 -0.4784 -2.1646 H 0 0 0 -1.5159 1.2732 -1.9503 H 0 0 0 0.7839 2.1486 -1.8213 H 0 0 0 2.1418 1.0006 -1.7420 H 0 0 0 1.2675 1.2405 -3.2738 H 0 0 0 2.5453 0.5645 3.1165 C 0 0 0 1.2941 0.1369 2.3467 C 0 0 0 1.4968 0.3554 0.9491 O 0 0 0 2.7377 1.6225 2.9382 H 0 0 0 2.3907 0.3979 4.1825 H 0 0 0 3.3989 -0.0222 2.7770 H 0 0 0 1.1017 -0.9210 2.5249 H 0 0 0 0.4405 0.7237 2.6861 H 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 1 8 1 0 1 18 1 0 3 4 1 0 5 6 3 0 7 8 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 9 1 0 9 13 1 0 9 14 1 0 9 15 1 0 16 17 1 0 16 19 1 0 16 20 1 0 16 21 1 0 17 18 1 0 17 22 1 0 17 23 1 0 M CHG 1 2 -1 M END $$$$ VX_5_Sp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 44 43 0 1 0 0 0 0 0999 V2000 0.0463 0.1756 -0.0806 P 0 0 0 0.0238 -1.4338 -0.6873 O 0 5 0 1.6649 0.3608 -0.6322 O 0 0 0 1.8252 -0.0072 -1.5119 H 0 0 0 -4.5261 -5.1165 3.5660 C 0 0 0 -4.6190 -3.6815 3.0434 C 0 0 0 -5.4128 -2.8282 4.0347 C 0 0 0 -3.2671 -3.1268 2.8927 N 0 0 0 -3.2970 -1.8635 2.1436 C 0 0 0 -1.8872 -1.5282 1.6527 C 0 0 0 -1.9487 -0.0528 0.5991 S 0 0 0 -2.6224 -2.9483 4.2005 C 0 0 0 -1.1212 -3.2129 4.0694 C 0 0 0 -2.8472 -1.5158 4.6886 C 0 0 0 -5.5188 -5.5665 3.5706 H 0 0 0 -3.8672 -5.6966 2.9199 H 0 0 0 -4.1260 -5.1088 4.5799 H 0 0 0 -5.1227 -3.6788 2.0768 H 0 0 0 -5.4174 -1.7912 3.6990 H 0 0 0 -6.4372 -3.1961 4.0919 H 0 0 0 -4.9492 -2.8893 5.0193 H 0 0 0 -3.9653 -1.9639 1.2884 H 0 0 0 -3.6552 -1.0646 2.7929 H 0 0 0 -1.2403 -1.3366 2.5088 H 0 0 0 -1.4928 -2.3675 1.0799 H 0 0 0 -3.0535 -3.6480 4.9166 H 0 0 0 -0.7092 -2.5849 3.2795 H 0 0 0 -0.6275 -2.9804 5.0130 H 0 0 0 -0.9573 -4.2618 3.8224 H 0 0 0 -3.9165 -1.3073 4.7232 H 0 0 0 -2.4221 -1.4008 5.6857 H 0 0 0 -2.3630 -0.8188 4.0046 H 0 0 0 0.6059 0.5061 1.6728 C 0 0 0 -0.2476 0.4320 2.3466 H 0 0 0 1.3591 -0.2283 1.9583 H 0 0 0 1.0324 1.5072 1.7354 H 0 0 0 0.0953 3.4390 -2.3957 C 0 0 0 0.6385 2.2072 -1.6686 C 0 0 0 -0.4460 1.4808 -1.0868 O 0 0 0 -0.4303 4.0776 -1.6858 H 0 0 0 0.9225 3.9930 -2.8395 H 0 0 0 -0.5931 3.1239 -3.1798 H 0 0 0 1.1641 1.5686 -2.3785 H 0 0 0 1.3269 2.5223 -0.8845 H 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 33 1 0 1 39 1 0 3 4 1 0 5 6 1 0 5 15 1 0 5 16 1 0 5 17 1 0 6 7 1 0 6 8 1 0 6 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 8 9 1 0 8 12 1 0 9 10 1 0 9 22 1 0 9 23 1 0 10 11 1 0 10 24 1 0 10 25 1 0 12 13 1 0 12 14 1 0 12 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 33 34 1 0 33 35 1 0 33 36 1 0 37 38 1 0 37 40 1 0 37 41 1 0 37 42 1 0 38 39 1 0 38 43 1 0 38 44 1 0 M CHG 1 2 -1 M END $$$$ VX_7_Rp_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 44 43 0 1 0 0 0 0 0999 V2000 -0.7635 -0.4065 0.7681 P 0 0 0 0.6792 -0.0012 -0.0761 O 0 5 0 -0.8823 1.2107 1.3415 O 0 0 0 -0.0589 1.5588 1.7102 H 0 0 0 1.4611 -1.8872 -5.9778 C 0 0 0 1.6063 -1.5911 -4.4837 C 0 0 0 2.1356 -0.1680 -4.2949 C 0 0 0 0.2969 -1.7173 -3.8300 N 0 0 0 0.4359 -1.7121 -2.3676 C 0 0 0 -0.8482 -2.2481 -1.7313 C 0 0 0 -0.6169 -2.3999 0.0614 S 0 0 0 -0.6183 -0.6580 -4.2756 C 0 0 0 -2.0519 -1.1924 -4.2832 C 0 0 0 -0.5231 0.5333 -3.3203 C 0 0 0 2.4274 -1.7670 -6.4676 H 0 0 0 1.1099 -2.9101 -6.1130 H 0 0 0 0.7425 -1.1952 -6.4171 H 0 0 0 2.3043 -2.3003 -4.0390 H 0 0 0 1.4980 0.5315 -4.8356 H 0 0 0 2.1327 0.0830 -3.2342 H 0 0 0 3.1532 -0.1047 -4.6805 H 0 0 0 1.2754 -2.3451 -2.0802 H 0 0 0 0.6143 -0.6934 -2.0232 H 0 0 0 -1.6690 -1.5603 -1.9349 H 0 0 0 -1.0811 -3.2264 -2.1518 H 0 0 0 -0.3437 -0.3400 -5.2814 H 0 0 0 -2.3867 -1.3491 -3.2577 H 0 0 0 -2.7060 -0.4710 -4.7727 H 0 0 0 -2.0843 -2.1380 -4.8244 H 0 0 0 0.5192 0.8357 -3.2192 H 0 0 0 -1.1058 1.3647 -3.7171 H 0 0 0 -0.9150 0.2483 -2.3439 H 0 0 0 -1.0365 -0.6453 4.7567 C 0 0 0 -1.0908 -0.0142 3.3640 C 0 0 0 -0.6803 -0.9751 2.3893 O 0 0 0 -1.7040 -1.5063 4.7918 H 0 0 0 -0.0172 -0.9670 4.9704 H 0 0 0 -1.3496 0.0877 5.5003 H 0 0 0 -2.1101 0.3074 3.1504 H 0 0 0 -0.4232 0.8468 3.3290 H 0 0 0 -2.4223 -0.2290 -0.0765 C 0 0 0 -2.3740 0.5796 -0.8059 H 0 0 0 -2.6736 -1.1608 -0.5832 H 0 0 0 -3.1863 -0.0023 0.6671 H 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 35 1 0 1 41 1 0 3 4 1 0 5 6 1 0 5 15 1 0 5 16 1 0 5 17 1 0 6 7 1 0 6 8 1 0 6 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 8 9 1 0 8 12 1 0 9 10 1 0 9 22 1 0 9 23 1 0 10 11 1 0 10 24 1 0 10 25 1 0 12 13 1 0 12 14 1 0 12 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 33 34 1 0 33 36 1 0 33 37 1 0 33 38 1 0 34 35 1 0 34 39 1 0 34 40 1 0 41 42 1 0 41 43 1 0 41 44 1 0 M CHG 1 2 -1 M END $$$$ Soman_1_RpRc_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 29 28 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.4060 -3.1768 1.8858 C 0 0 0 -0.6086 -2.3200 1.1260 C 0 0 2 -1.7693 -3.1996 0.6572 C 0 0 0 -2.4481 -3.8378 1.8708 C 0 0 0 -2.7839 -2.3428 -0.1026 C 0 0 0 -1.2367 -4.2978 -0.2655 C 0 0 0 0.0254 -1.7239 -0.0074 O 0 0 0 -0.0775 -3.6315 2.7504 H 0 0 0 0.7855 -3.9592 1.2285 H 0 0 0 1.2330 -2.5502 2.2199 H 0 0 0 -0.9880 -1.5376 1.7833 H 0 0 0 -2.8275 -3.0555 2.5281 H 0 0 0 -3.2751 -4.4645 1.5367 H 0 0 0 -1.7253 -4.4483 2.4121 H 0 0 0 -2.3004 -1.8880 -0.9672 H 0 0 0 -3.6109 -2.9694 -0.4367 H 0 0 0 -3.1634 -1.5604 0.5547 H 0 0 0 -0.5139 -4.9082 0.2758 H 0 0 0 -2.0637 -4.9244 -0.5995 H 0 0 0 -0.7532 -3.8431 -1.1300 H 0 0 0 0.9215 0.0174 -1.6262 C 0 0 0 1.0862 1.0491 -1.9369 H 0 0 0 1.8820 -0.4842 -1.5077 H 0 0 0 0.3322 -0.5004 -2.3831 H 0 0 0 0.8508 -0.0005 1.4403 F 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 25 1 0 1 29 1 0 3 4 1 0 5 6 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 7 1 0 6 11 1 0 6 15 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M CHG 1 2 -1 M END $$$$ Soman_1_RpSc_i002_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 29 28 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 -1.7693 -3.1996 0.6572 C 0 0 0 -0.6086 -2.3200 1.1260 C 0 0 1 0.4060 -3.1768 1.8858 C 0 0 0 0.9386 -4.2750 0.9632 C 0 0 0 1.5668 -2.2973 2.3547 C 0 0 0 -0.2727 -3.8151 3.0994 C 0 0 0 0.0254 -1.7239 -0.0074 O 0 0 0 -2.4922 -2.5892 0.1159 H 0 0 0 -1.3899 -3.9819 -0.0001 H 0 0 0 -2.2529 -3.6543 1.5218 H 0 0 0 -0.9880 -1.5376 1.7833 H 0 0 0 1.4222 -3.8203 0.0986 H 0 0 0 1.6615 -4.8854 1.5045 H 0 0 0 0.1117 -4.9017 0.6292 H 0 0 0 1.1874 -1.5149 3.0120 H 0 0 0 2.2896 -2.9077 2.8960 H 0 0 0 2.0504 -1.8426 1.4901 H 0 0 0 -1.0997 -4.4417 2.7654 H 0 0 0 0.4501 -4.4255 3.6407 H 0 0 0 -0.6522 -3.0327 3.7567 H 0 0 0 0.9215 0.0174 -1.6262 C 0 0 0 1.0862 1.0491 -1.9369 H 0 0 0 1.8820 -0.4842 -1.5077 H 0 0 0 0.3322 -0.5004 -2.3831 H 0 0 0 0.8508 -0.0005 1.4403 F 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 25 1 0 1 29 1 0 3 4 1 0 5 6 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 7 1 0 6 11 1 0 6 15 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M CHG 1 2 -1 M END $$$$ Soman_3_SpRc_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 29 28 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 -1.7819 -3.1926 -0.6535 C 0 0 0 -0.6302 -2.3079 -1.1349 C 0 0 2 0.3697 -3.1564 -1.9231 C 0 0 0 -0.3322 -3.7816 -3.1303 C 0 0 0 1.5214 -2.2717 -2.4046 C 0 0 0 0.9197 -4.2644 -1.0227 C 0 0 0 0.0254 -1.7239 -0.0074 O 0 0 0 -2.2819 -3.6380 -1.5135 H 0 0 0 -1.3900 -3.9819 -0.0120 H 0 0 0 -2.4941 -2.5880 -0.0920 H 0 0 0 -1.0220 -1.5185 -1.7764 H 0 0 0 -0.7240 -2.9923 -3.7718 H 0 0 0 0.3801 -4.3861 -3.6919 H 0 0 0 -1.1527 -4.4119 -2.7873 H 0 0 0 2.0214 -1.8263 -1.5446 H 0 0 0 2.2337 -2.8762 -2.9661 H 0 0 0 1.1295 -1.4824 -3.0461 H 0 0 0 0.0992 -4.8946 -0.6797 H 0 0 0 1.6320 -4.8689 -1.5842 H 0 0 0 1.4197 -3.8189 -0.1627 H 0 0 0 0.8232 0.0151 -1.4521 F 0 0 0 0.9524 -0.0000 1.6125 C 0 0 0 0.3776 -0.5259 2.3749 H 0 0 0 1.9104 -0.5001 1.4704 H 0 0 0 1.1231 1.0283 1.9311 H 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 25 1 0 1 26 1 0 3 4 1 0 5 6 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 7 1 0 6 11 1 0 6 15 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 26 27 1 0 26 28 1 0 26 29 1 0 M CHG 1 2 -1 M END $$$$ Soman_3_SpSc_i002_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 29 28 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.3697 -3.1564 -1.9231 C 0 0 0 -0.6302 -2.3079 -1.1349 C 0 0 1 -1.7819 -3.1926 -0.6535 C 0 0 0 -1.2319 -4.3005 0.2470 C 0 0 0 -2.7817 -2.3440 0.1347 C 0 0 0 -2.4837 -3.8178 -1.8607 C 0 0 0 0.0254 -1.7239 -0.0074 O 0 0 0 1.1902 -2.5261 -2.2661 H 0 0 0 0.7615 -3.9457 -1.2816 H 0 0 0 -0.1304 -3.6018 -2.7832 H 0 0 0 -1.0220 -1.5185 -1.7764 H 0 0 0 -0.7318 -3.8551 1.1070 H 0 0 0 -2.0523 -4.9308 0.5900 H 0 0 0 -0.5196 -4.9050 -0.3146 H 0 0 0 -3.1735 -1.5547 -0.5068 H 0 0 0 -3.6022 -2.9743 0.4777 H 0 0 0 -2.2816 -1.8986 0.9947 H 0 0 0 -1.7714 -4.4223 -2.4222 H 0 0 0 -3.3042 -4.4481 -1.5177 H 0 0 0 -2.8756 -3.0285 -2.5022 H 0 0 0 0.8232 0.0151 -1.4521 F 0 0 0 0.9524 -0.0000 1.6125 C 0 0 0 0.3776 -0.5259 2.3749 H 0 0 0 1.9104 -0.5001 1.4704 H 0 0 0 1.1231 1.0283 1.9311 H 0 0 0 1 2 1 0 1 3 1 0 1 11 1 0 1 25 1 0 1 26 1 0 3 4 1 0 5 6 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 7 1 0 6 11 1 0 6 15 1 0 7 8 1 0 7 9 1 0 7 10 1 0 8 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 26 27 1 0 26 28 1 0 26 29 1 0 M CHG 1 2 -1 M END $$$$ Soman_5_RpRc_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 29 28 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.0247 -1.6739 -0.0072 F 0 0 0 0.2895 -1.2303 -3.4897 C 0 0 0 -0.0031 0.0104 -2.6437 C 0 0 2 0.2556 1.2679 -3.4760 C 0 0 0 -0.6554 1.2623 -4.7052 C 0 0 0 -0.0370 2.5086 -2.6299 C 0 0 0 1.7181 1.2902 -3.9251 C 0 0 0 0.8477 0.0156 -1.4956 O 0 0 0 -0.3595 -1.2343 -4.3654 H 0 0 0 1.3314 -1.2144 -3.8097 H 0 0 0 0.1052 -2.1262 -2.8968 H 0 0 0 -1.0450 -0.0055 -2.3237 H 0 0 0 -1.6972 1.2464 -4.3852 H 0 0 0 -0.4710 2.1581 -5.2981 H 0 0 0 -0.4469 0.3783 -5.3079 H 0 0 0 0.6120 2.5126 -1.7542 H 0 0 0 0.1473 3.4045 -3.2229 H 0 0 0 -1.0789 2.4927 -2.3099 H 0 0 0 1.9265 0.4062 -4.5279 H 0 0 0 1.9024 2.1860 -4.5181 H 0 0 0 2.3671 1.2942 -3.0494 H 0 0 0 0.9524 -0.0000 1.6125 C 0 0 0 1.5916 -0.8817 1.6594 H 0 0 0 1.5675 0.8981 1.6692 H 0 0 0 0.2521 -0.0141 2.4477 H 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 1 12 1 0 1 26 1 0 3 4 1 0 6 7 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 8 1 0 7 12 1 0 7 16 1 0 8 9 1 0 8 10 1 0 8 11 1 0 9 17 1 0 9 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 26 27 1 0 26 28 1 0 26 29 1 0 M CHG 1 2 -1 M END $$$$ Soman_5_RpSc_i002_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 29 28 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.0247 -1.6739 -0.0072 F 0 0 0 0.2556 1.2679 -3.4760 C 0 0 0 -0.0031 0.0104 -2.6437 C 0 0 1 0.2895 -1.2303 -3.4897 C 0 0 0 1.7519 -1.2080 -3.9389 C 0 0 0 0.0308 -2.4878 -2.6574 C 0 0 0 -0.6215 -1.2359 -4.7189 C 0 0 0 0.8477 0.0156 -1.4956 O 0 0 0 0.0471 2.1518 -2.8732 H 0 0 0 1.2975 1.2838 -3.7960 H 0 0 0 -0.3934 1.2639 -4.3517 H 0 0 0 -1.0450 -0.0055 -2.3237 H 0 0 0 2.4010 -1.2040 -3.0632 H 0 0 0 1.9604 -2.0920 -4.5416 H 0 0 0 1.9363 -0.3122 -4.5318 H 0 0 0 -1.0111 -2.5037 -2.3374 H 0 0 0 0.2392 -3.3717 -3.2601 H 0 0 0 0.6798 -2.4838 -1.7817 H 0 0 0 -0.4371 -0.3401 -5.3119 H 0 0 0 -0.4130 -2.1199 -5.3216 H 0 0 0 -1.6633 -1.2518 -4.3989 H 0 0 0 0.9524 -0.0000 1.6125 C 0 0 0 1.5916 -0.8817 1.6594 H 0 0 0 1.5675 0.8981 1.6692 H 0 0 0 0.2521 -0.0141 2.4477 H 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 1 12 1 0 1 26 1 0 3 4 1 0 6 7 1 0 6 13 1 0 6 14 1 0 6 15 1 0 7 8 1 0 7 12 1 0 7 16 1 0 8 9 1 0 8 10 1 0 8 11 1 0 9 17 1 0 9 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 26 27 1 0 26 28 1 0 26 29 1 0 M CHG 1 2 -1 M END $$$$ Soman_7_SpRc_i001_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 29 28 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.0247 -1.6739 -0.0072 F 0 0 0 0.9215 0.0174 -1.6262 C 0 0 0 1.5354 0.9161 -1.6850 H 0 0 0 1.5596 -0.8637 -1.6948 H 0 0 0 0.2054 0.0122 -2.4479 H 0 0 0 0.3221 1.2305 3.4880 C 0 0 0 0.0474 -0.0180 2.6473 C 0 0 2 0.3560 -1.2677 3.4742 C 0 0 0 -0.5314 -1.2866 4.7205 C 0 0 0 0.0813 -2.5162 2.6336 C 0 0 0 1.8267 -1.2501 3.8956 C 0 0 0 0.8762 -0.0004 1.4833 O 0 0 0 1.3699 1.2430 3.7882 H 0 0 0 0.1023 2.1208 2.8989 H 0 0 0 -0.3101 1.2170 4.3758 H 0 0 0 -1.0004 -0.0306 2.3471 H 0 0 0 -1.5791 -1.2992 4.4203 H 0 0 0 -0.3115 -2.1770 5.3096 H 0 0 0 -0.3356 -0.3972 5.3194 H 0 0 0 0.7134 -2.5028 1.7457 H 0 0 0 0.3011 -3.4065 3.2227 H 0 0 0 -0.9665 -2.5288 2.3334 H 0 0 0 2.0225 -0.3607 4.4945 H 0 0 0 2.0466 -2.1404 4.4847 H 0 0 0 2.4589 -1.2367 3.0078 H 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 1 6 1 0 1 16 1 0 3 4 1 0 6 7 1 0 6 8 1 0 6 9 1 0 10 11 1 0 10 17 1 0 10 18 1 0 10 19 1 0 11 12 1 0 11 16 1 0 11 20 1 0 12 13 1 0 12 14 1 0 12 15 1 0 13 21 1 0 13 22 1 0 13 23 1 0 14 24 1 0 14 25 1 0 14 26 1 0 15 27 1 0 15 28 1 0 15 29 1 0 M CHG 1 2 -1 M END $$$$ Soman_7_SpSc_i002_c001 JHcorina 02190613083D 1 1.00000 0.00000 CORINA 3.20 0003 11.05.2005 29 28 0 1 0 0 0 0 0999 V2000 0.0021 -0.0041 0.0020 P 0 0 0 -1.7177 -0.0275 0.0183 O 0 5 0 -0.0212 1.7157 0.0115 O 0 0 0 0.8567 2.1210 0.0053 H 0 0 0 0.0247 -1.6739 -0.0072 F 0 0 0 0.9215 0.0174 -1.6262 C 0 0 0 1.5354 0.9161 -1.6850 H 0 0 0 1.5596 -0.8637 -1.6948 H 0 0 0 0.2054 0.0122 -2.4479 H 0 0 0 0.3560 -1.2677 3.4742 C 0 0 0 0.0474 -0.0180 2.6473 C 0 0 1 0.3221 1.2305 3.4880 C 0 0 0 1.7929 1.2481 3.9093 C 0 0 0 0.0135 2.4802 2.6611 C 0 0 0 -0.5652 1.2116 4.7342 C 0 0 0 0.8762 -0.0004 1.4833 O 0 0 0 1.4038 -1.2552 3.7744 H 0 0 0 -0.2762 -1.2812 4.3621 H 0 0 0 0.1603 -2.1572 2.8753 H 0 0 0 -1.0004 -0.0306 2.3471 H 0 0 0 2.4250 1.2616 3.0215 H 0 0 0 1.9886 2.1375 4.5083 H 0 0 0 2.0127 0.3578 4.4985 H 0 0 0 -1.0343 2.4677 2.3609 H 0 0 0 0.2092 3.3696 3.2600 H 0 0 0 0.6457 2.4937 1.7732 H 0 0 0 -0.3454 0.3212 5.3233 H 0 0 0 -0.3695 2.1010 5.3331 H 0 0 0 -1.6130 1.1990 4.4340 H 0 0 0 1 2 1 0 1 3 1 0 1 5 1 0 1 6 1 0 1 16 1 0 3 4 1 0 6 7 1 0 6 8 1 0 6 9 1 0 10 11 1 0 10 17 1 0 10 18 1 0 10 19 1 0 11 12 1 0 11 16 1 0 11 20 1 0 12 13 1 0 12 14 1 0 12 15 1 0 13 21 1 0 13 22 1 0 13 23 1 0 14 24 1 0 14 25 1 0 14 26 1 0 15 27 1 0 15 28 1 0 15 29 1 0 M CHG 1 2 -1 M END $$$$