IFLAB-ZINC02712695 MOE2007 3D Structure written by MMmdl. 56 58 0 0 1 0 0 0 0 0999 V2000 2.8330 4.6970 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 3.6570 1.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8620 4.2200 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 2.7070 0.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6380 2.1170 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 1.7290 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 2.1040 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 1.1750 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.1380 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -0.5250 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4000 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 2.4860 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 3.2180 -3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 5.1670 -2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 4.4450 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 4.8790 -5.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 2.8960 2.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 2.2960 3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 2.4050 2.2370 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 1.5760 4.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 1.0460 5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 1.4100 5.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 0.8550 6.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -0.0610 7.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 -0.4200 7.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 0.1350 6.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -0.3410 5.9760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 4.2400 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 5.3990 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 5.2810 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 3.1190 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 1.4750 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.8590 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -1.5500 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 0.0680 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 1.8640 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 1.8630 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 3.8040 -3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 2.5010 -4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 5.8040 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 5.7760 -3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 5.1930 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 3.8600 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 5.5080 -5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 4.1140 -6.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 5.4790 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 2.8040 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 1.3490 4.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 2.1540 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 1.1520 6.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9490 -0.4850 8.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 -1.1280 7.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 3.4760 -1.2720 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7340 4.0170 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 4.1770 -4.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3720 3.6300 -4.0730 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