IBS-ZINC04812131 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 -0.5250 -0.2600 5.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -1.6130 4.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -2.3280 5.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -2.2160 4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -1.5540 4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -2.1630 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -3.4630 2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -4.1480 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -3.5300 3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -4.0720 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -4.7050 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -5.2200 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 -4.5510 0.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4180 -4.9330 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5830 -4.2210 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7970 -4.5530 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8520 -5.6030 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6950 -6.3180 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4840 -5.9760 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 -6.7280 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -7.6580 -1.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 -6.3370 -0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -7.1370 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -7.5500 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -8.3590 -1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -8.7740 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -8.3820 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 -7.5680 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -8.8320 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -8.1360 2.7330 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4030 0.0580 5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 0.4590 4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -0.1940 6.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -3.2320 5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -2.5990 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -1.7190 5.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -0.5390 4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 -1.6020 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -5.1780 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -4.1250 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -3.9460 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -4.8000 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5410 -3.3990 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6950 -3.9910 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7950 -5.8650 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7420 -7.1420 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -7.2380 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -8.6700 -2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -9.4100 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -7.3180 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -9.8620 1.5260 O 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 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 2 0 0 0 0 M CHG 1 30 -1 M END