IBS-ZINC02104609 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 3.4160 -3.0180 -3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -3.7040 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -3.3400 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.9690 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -4.9620 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -5.3250 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -4.6930 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -5.7640 0.1800 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -6.9730 -0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -5.7230 1.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -4.8230 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -4.6010 -0.8860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9420 -4.7120 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -3.1890 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -3.0190 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -2.1640 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -5.6100 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -6.4300 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5650 -5.5980 -1.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -6.4740 -1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8250 -6.0450 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8740 -6.9130 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7160 -8.2430 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8230 -9.1970 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 -10.4730 -1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3420 -10.8440 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -11.9920 -2.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -9.9650 -2.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 -8.6820 -2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -7.7840 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -8.2360 -2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1660 -8.7730 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -3.5590 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -3.0050 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -1.9960 -3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -2.5640 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -3.6850 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -6.1010 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -4.9750 -4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -4.4180 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -3.0350 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -3.1730 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -2.0130 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -3.7490 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -2.2300 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -1.1620 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -2.3690 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -5.0190 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8220 -6.5750 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4030 -11.2020 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -8.6030 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -9.0350 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -7.3970 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7900 -8.4160 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6490 -9.6240 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0300 -7.9740 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 30 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 29 2 0 0 0 0 24 25 2 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M END