IBS-ZINC05163332 MOE2007 3D Structure written by MMmdl. 48 51 0 0 0 0 0 0 0 0999 V2000 -0.2870 -0.1450 4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.6370 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -1.1700 4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -1.6440 3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -2.1580 3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -1.4710 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -1.8660 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -1.6810 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -1.1070 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.7150 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -0.8980 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -0.4840 2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -0.1070 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 2.2260 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 3.7010 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 4.1010 -0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 3.3520 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 1.8610 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -0.9000 -2.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -1.2870 5.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -0.1550 6.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -0.2630 7.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -1.5040 8.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 -2.6380 7.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -2.5300 6.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -1.6380 9.9250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.5800 4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 0.9450 4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.4030 5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -2.3120 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -1.9860 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -0.2290 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.6100 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 2.0360 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 1.9110 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 3.9040 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 4.3230 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 3.5420 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 3.7210 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.2780 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 1.6700 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -1.2760 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 0.8170 5.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 0.6210 8.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -3.6070 8.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -3.4250 5.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 1.3740 0.1180 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3800 1.4890 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 6 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 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 47 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END