IBS-ZINC00158410 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.0910 1.2420 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.1840 0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -0.6780 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -0.0240 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -2.1960 -0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4250 -2.5850 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -2.7010 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -4.1550 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -5.1000 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -5.0340 3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -6.1930 4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -7.4050 4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -7.4940 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -6.3270 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -6.1300 0.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -6.8610 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -4.8150 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -4.2130 -0.7380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9790 -4.4910 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -4.6200 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -5.0610 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -5.4080 -2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 -5.3130 -1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -4.8750 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -4.5270 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3320 -5.7390 -2.0350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 1.5220 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 1.6000 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.6990 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.5200 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -2.1440 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -4.0980 4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -6.1470 5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -8.2940 4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -8.4380 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -5.1400 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -5.7480 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 -4.8010 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -4.1920 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -2.7130 -0.6400 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2870 -2.3620 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -2.2830 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 40 1 M END