IBS-ZINC02127024 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 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 3 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 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -1.2130 2.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.1610 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 0.4060 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -0.6470 2.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3830 -1.6520 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -0.6760 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 -1.6880 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -2.9650 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -3.5780 0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 -4.5020 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -2.6860 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -1.4650 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -0.3660 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 -0.4840 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -1.6870 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -2.7820 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 0.2730 3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 1.2350 3.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -0.1960 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -0.6060 1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.3920 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -1.8330 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 -2.6290 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -3.0000 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -2.5770 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -1.7700 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -1.2850 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -1.5700 -1.9420 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 4.5590 0.3100 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 -0.9520 3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -3.4400 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 0.5740 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 0.3660 -2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -1.7650 -4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -3.7150 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 0.4270 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -1.5520 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 -2.9690 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -3.6250 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -2.8690 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 0.0240 4.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 0.6420 5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 49 50 1 0 0 0 0 M END