MMs01648426 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 61 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7612 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0224 -2.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5223 -2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5222 -2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 -3.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2835 -3.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 -5.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -6.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5672 -7.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3284 -9.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0221 -2.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7833 -3.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7609 -1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2608 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9996 0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2383 1.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4995 0.1168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2382 1.4222 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8382 0.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7382 1.4352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.9382 1.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4994 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4769 2.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9769 2.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4770 2.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9771 2.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 0.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 -1.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9798 -2.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0426 -0.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6521 -0.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 -0.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3924 -4.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2185 -5.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2319 -7.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 -6.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 -8.5343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -9.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9374 -10.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -8.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6297 -0.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9590 -0.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0627 -2.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 -1.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1085 -0.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4654 -0.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1083 -0.8913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5334 0.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3458 3.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6751 3.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9872 1.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1768 2.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9665 3.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2158 4.0202 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 M CHG 1 61 -1 M END