IBS-ZINC02083416 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.8000 0.5170 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.7510 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.8470 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -1.9750 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.8490 -1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 0.0750 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 1.0480 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -0.2140 -2.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 0.6420 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 1.1330 -3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -0.0400 -4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.9160 -4.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -1.3590 -3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 0.4650 -6.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 1.6300 -6.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -0.5100 -7.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.3130 -8.8170 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1280 0.6960 -9.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -0.5190 -9.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 0.5460 -8.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 0.3330 -9.5540 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 1.6950 -8.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 -1.3590 -9.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -2.3650 -8.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 1.4230 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 0.6100 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 0.5130 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.9410 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -1.7120 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 0.0350 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -1.9610 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -2.9040 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -2.0170 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 1.4990 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 0.0490 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 1.8110 -4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 1.7190 -4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 -0.6450 -4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -0.3520 -4.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.8010 -5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -2.0310 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -1.9190 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -1.4560 -7.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -0.5030 -10.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -1.5140 -9.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 0.4620 -7.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 1.5470 -9.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 1.7330 -9.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 1.5440 -7.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 2.6480 -8.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -1.0780 -10.7920 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 M CHG 1 51 -1 M END