IBS-ZINC02269607 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 0.1300 1.4800 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.0360 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -0.5330 -0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -0.9600 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -1.4420 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -1.5260 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -1.9650 0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -1.0610 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -0.5710 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -0.1370 2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -0.1770 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -0.6840 3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -1.1200 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -0.8050 4.7390 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 0.2600 4.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 0.0060 4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -0.6730 5.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 0.3140 6.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 1.0100 5.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.4960 8.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -1.8580 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -1.7420 -3.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -2.3820 -2.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -2.8560 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4540 -3.1180 -3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3840 -2.0790 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6800 -2.3480 -2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0120 -3.6340 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0260 -4.6050 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 -4.3780 -2.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 1.8320 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.8020 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.9760 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.4700 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -0.3670 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.8700 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 0.2870 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -1.5080 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -0.6470 3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 0.9580 4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -1.6770 6.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -0.7310 6.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 0.9270 7.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -0.6790 6.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 2.0170 5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 1.1550 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -0.5550 8.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -1.4910 8.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 0.1510 9.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 -2.4540 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -2.1260 -4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 -3.7800 -3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 -1.0750 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4230 -1.5560 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0130 -3.8730 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2330 -5.6250 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 0.1230 7.1210 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7360 1.0560 7.1090 H 0 0 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 9 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 21 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 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 57 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END