IBS-ZINC04042896 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -0.0290 1.0390 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 1.4200 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 2.7820 -1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 0.5480 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -0.9110 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -1.5490 -3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -2.7520 -3.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -0.5300 -3.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 0.8020 -3.3830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8240 1.2630 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 1.6600 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 2.7780 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 3.5730 -5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 3.2940 -6.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 2.1620 -5.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 1.3580 -4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 4.0810 -7.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 5.2550 -7.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 3.7530 -7.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 -0.7530 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -0.2860 -4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 -0.5650 -6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 0.0070 -5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -0.2500 -7.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9820 0.3460 -7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2060 1.0580 -5.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -1.5360 -1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 0.6850 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 1.9000 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 0.2660 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 3.0440 -4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 4.4220 -6.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 1.8670 -5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 0.4910 -4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 5.9850 -7.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 5.7670 -8.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 4.9740 -8.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 2.7610 -8.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 4.4630 -8.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 3.7830 -6.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.2280 -5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -1.8230 -5.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -0.7840 -4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 0.7890 -4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -0.1150 -7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 -1.6460 -6.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1320 -0.4340 -5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 1.0870 -5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 0.1720 -8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6770 -1.3310 -7.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 3.0190 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7550 0.0500 -7.9580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 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 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 52 -1 M END