NIH-ZINC03894652 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -1.7180 1.3500 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 0.1980 -0.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4080 -0.3390 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 0.7550 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.3980 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -1.3540 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -1.9110 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -0.7590 -0.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5520 -1.1560 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -0.0370 0.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -0.4730 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -1.4630 0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 0.2690 2.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6590 1.1550 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -0.6420 3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 -0.0490 4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 -0.5070 6.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -0.0130 7.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 0.9460 6.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0260 1.4050 5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 0.9120 4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3700 1.4760 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 0.6660 2.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 0.2150 0.7500 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 1.0940 0.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 0.2290 -0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 -1.4830 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 2.0310 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 0.9530 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 1.8870 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 1.4360 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.2920 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -0.9350 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -0.0010 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -2.1750 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -0.8170 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -2.4480 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -2.5920 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 0.7540 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -1.6130 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -0.7730 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 -1.2570 6.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -0.3750 8.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5490 1.3330 7.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7680 2.1540 5.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 1.4640 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 2.5020 3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5810 -1.4920 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -1.8650 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9960 -2.1140 1.3020 H 0 0 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 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END