IBS-ZINC04087696 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 62 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -2.8860 -0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -2.7380 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -3.2550 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -3.3230 2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -3.9130 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4900 -3.9790 2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 -4.0470 4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 -2.6320 5.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6590 -2.0430 4.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 -1.9760 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 -1.9080 3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2930 -2.6990 6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5020 -3.7730 7.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -1.5660 7.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -1.6320 8.6460 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4670 -2.4460 8.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4040 -0.3090 9.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7250 -0.1230 8.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4880 1.4450 8.8200 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.0150 1.4860 7.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5230 -1.8750 9.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -1.9820 8.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -2.5010 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -2.5930 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -4.2530 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 -3.3890 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -4.9870 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 -4.5140 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -4.6370 5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -0.9680 5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -2.5660 5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -1.4410 3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -1.3190 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -0.7070 6.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5940 -0.3240 10.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 0.5150 8.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5340 -0.1080 7.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3970 -0.9470 8.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5650 2.4000 8.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7680 1.4610 6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6300 0.6220 8.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.0440 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 -1.9720 10.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.4270 -1.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.1380 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 -2.1280 11.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 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 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 60 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 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 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 M END