IBS-ZINC06662016 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.1310 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -0.6610 -1.2750 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5600 -1.7370 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -0.3670 -2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -1.1540 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -1.6130 -6.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -1.2940 -7.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -2.0650 -8.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -2.2890 -10.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -2.2710 -9.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 0.0160 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 -0.7370 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 -0.1170 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7730 1.2590 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 2.0120 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 1.3910 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6690 2.0390 3.1080 Cl 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9560 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -0.5540 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -0.6640 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 0.7000 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -0.8580 -3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -2.2210 -3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -2.6830 -5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -1.3190 -6.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -1.5880 -7.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -0.2240 -7.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -1.7720 -8.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -3.1350 -8.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -3.3710 -10.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -1.8400 -10.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -2.0480 -11.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 -1.8100 -9.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -3.3530 -9.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -2.0310 -10.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 -1.8100 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 -0.7050 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 3.0860 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 1.9790 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -0.8720 -5.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -1.0790 -4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 -1.7590 -9.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 53 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 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 55 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 13 55 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 55 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 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 53 54 1 0 0 0 0 M END