IFLAB-ZINC04163334 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 -1.1630 2.2180 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.7850 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -1.5990 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -2.5680 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -0.9300 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 0.0430 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -3.3710 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -3.5660 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9570 -4.3530 2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -4.3320 3.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4850 -3.2130 3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4830 -2.1400 3.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2640 -3.4110 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8720 -4.3500 5.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3970 -2.5760 5.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9690 -1.5650 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0160 -1.0330 5.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6110 -0.2780 4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1470 -1.6730 6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1500 -2.6480 6.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0760 -3.4550 7.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9900 -3.2590 8.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9710 -2.2760 8.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0690 -1.4630 7.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 2.8520 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 2.2970 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 2.6280 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 0.4510 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 0.6750 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -1.8100 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -1.6720 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -2.4010 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -3.6040 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 -0.8290 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -0.7420 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 1.0730 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -0.1160 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -4.3200 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -2.9820 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 -4.0900 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9030 -2.5990 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 -3.9200 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7430 -5.3980 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8250 -5.1510 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7290 -1.1710 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3170 -4.2280 7.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9310 -3.8810 9.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6720 -2.1380 9.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8360 -0.6990 7.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.1490 0.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3140 0.0960 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -2.3750 1.1300 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3870 -2.5830 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 50 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 52 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 50 1 M CHG 1 52 1 M END