IBS-ZINC00629650 MOE2007 3D Structure written by MMmdl. 54 57 0 0 1 0 0 0 0 0999 V2000 3.5030 -0.8390 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -0.0580 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.7230 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -0.0060 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 1.3760 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 2.0410 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 1.3240 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 2.2900 0.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 3.5700 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 1.4400 -0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 2.5310 1.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 3.3540 2.4750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1690 3.3510 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 4.7880 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 2.7920 3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 1.8060 4.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 3.3880 4.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 2.8940 6.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 1.7120 6.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 1.2030 7.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 1.8720 8.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 3.0660 8.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 3.5720 7.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 3.7100 9.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 3.2750 10.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 2.1370 10.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 1.3520 10.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 0.3220 10.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 1.6920 12.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 0.3830 12.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -0.0280 13.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 0.8630 14.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 2.1670 14.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 2.5850 13.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 0.3430 16.6010 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -1.0200 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -0.2700 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -1.7920 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -1.8020 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.5260 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 3.1210 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 1.8440 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 2.1280 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 5.4010 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 5.1950 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 4.7920 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 1.1950 5.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 0.2860 7.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 4.4900 6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 3.8510 11.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -0.3120 11.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -1.0440 14.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 2.8580 15.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 3.6030 13.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 M END