IFLAB-ZINC02712694 MOE2007 3D Structure written by MMmdl. 56 58 0 0 1 0 0 0 0 0999 V2000 -2.3990 4.3740 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 4.0130 -0.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4450 4.4040 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 2.4650 -0.6610 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3300 2.0920 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 2.1000 -1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 2.7130 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 2.3380 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 1.3430 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 0.7210 -3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 1.0920 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 1.0850 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 0.0930 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.2580 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 2.2630 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.2360 4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 4.7110 -1.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 5.9030 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 6.7660 -1.5140 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 6.2330 -3.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 7.1320 -4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 7.7680 -4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 8.6230 -5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 8.8440 -6.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 8.2040 -6.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 7.3520 -5.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 6.5640 -5.0130 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 4.0640 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 5.4580 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 3.9140 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 3.5010 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 2.8290 -3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 1.0570 -5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.0490 -4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 0.5890 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 1.9260 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 0.5780 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -0.7960 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -0.2080 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 0.3980 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 1.7440 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.5580 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 3.1450 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 0.2950 4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -0.5340 4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.0990 3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 4.2720 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 5.7630 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 7.6080 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 9.1100 -5.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 9.5060 -7.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 8.3700 -7.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 1.6410 0.5290 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3510 0.8160 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.7220 3.2280 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4170 1.5120 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 53 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 55 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 53 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 53 1 M CHG 1 55 1 M END