IBS-ZINC00546945 MOE2007 3D Structure written by MMmdl. 46 49 0 0 0 0 0 0 0 0999 V2000 4.2450 4.8700 -3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 4.4920 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 3.3740 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 2.6260 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 3.0100 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 4.1290 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 1.4720 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 1.1270 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -0.4880 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 0.4630 -0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 0.4300 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -1.7500 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 -1.4750 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -2.7660 2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 -3.6920 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -3.9780 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -2.6910 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 1.8350 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 1.1550 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 1.8240 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 3.1760 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 3.8630 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.1940 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 4.0010 0.8210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 5.7400 -3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 5.0710 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 3.1070 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 2.4450 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 4.4210 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -2.2370 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 -0.8830 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -0.8640 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -3.2820 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5090 -2.5280 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 -4.6340 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 -3.2330 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -4.5640 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 -4.5910 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -2.9340 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 -2.1800 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 0.1020 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 1.2860 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 4.9170 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 3.7530 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -0.0920 0.6120 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1010 -0.6040 1.2330 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 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 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 18 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 45 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 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 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END