CHEMBRIDGE-ZINC04114989 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -1.3590 -1.2840 -4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.2260 -3.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -2.3440 -2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -3.2430 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -3.3660 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -2.5830 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -1.6790 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -1.5600 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -2.7100 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 -3.4940 1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 -1.8670 0.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8670 -1.7210 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 -2.3260 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0040 -2.3840 2.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4780 -2.7950 0.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 -2.5750 -0.6620 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6490 -1.9450 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8270 -3.8950 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 -5.0150 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 -6.2240 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -6.2630 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 -5.1030 -2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -3.9710 -2.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7290 -3.4480 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6680 -2.4140 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9750 -3.0950 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8740 -2.1060 -1.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9480 -1.7720 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9000 -0.8270 -3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3950 -0.5900 -2.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7890 -1.3570 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3520 -1.2160 2.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -1.2900 -5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -1.5560 -5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.2870 -4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -3.8460 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -4.0640 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -1.0730 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -0.8600 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3190 -4.9470 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -7.1150 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -7.1890 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -5.1250 -3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5170 -4.2320 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2030 -3.8850 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8800 -1.6300 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1940 -1.9770 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7630 -3.8800 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4490 -3.5320 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3550 -2.1870 -3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2120 -0.3440 -4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9850 -1.3850 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -0.8880 -0.2640 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 3 4 1 0 0 0 0 3 8 2 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 37 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 32 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 31 52 1 0 0 0 0 M END