IBS-ZINC02228350 MOE2007 3D Structure written by MMmdl. 56 60 0 0 0 0 0 0 0 0999 V2000 -5.0840 1.7250 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 1.8690 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 0.7610 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -0.4910 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -0.6340 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 0.4730 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -1.6980 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -2.2920 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -3.1940 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -3.7170 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -3.3290 3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4640 3.4070 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.9490 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -2.0980 4.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -3.0260 4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -2.6480 5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -3.4730 5.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -1.2630 5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -0.8890 6.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 0.4140 6.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 1.3440 6.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 0.9870 5.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -0.3160 5.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.7130 4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 0.1020 4.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -4.3180 3.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -5.4710 4.1950 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -6.7190 3.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -4.9880 3.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -5.5280 5.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -5.2350 6.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -5.2740 7.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -5.6180 8.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -5.9180 8.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -5.8720 6.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -5.6740 10.4340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 2.5900 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 2.8470 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 0.8740 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -1.6120 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7160 0.3600 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -2.4390 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -1.4020 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -3.4820 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -4.4210 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -3.7320 4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -1.2510 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -1.6120 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 0.7040 7.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 2.3570 6.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.7190 5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -4.5520 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -4.9700 5.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -5.0400 8.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -6.1860 8.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -6.1060 6.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 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 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 M CHG 1 12 1 M END