IBS-ZINC02209312 MOE2007 3D Structure written by MMmdl. 42 46 0 0 1 0 0 0 0 0999 V2000 4.2440 2.5340 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 1.4260 3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 0.3450 3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 0.3720 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 1.4810 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 2.5600 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.5110 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 1.9400 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 3.3270 0.0530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9780 3.8210 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 3.2480 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 4.2720 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 5.4600 0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 3.7910 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 4.6770 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 4.1900 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 2.8220 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 1.9310 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 2.4030 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 1.5470 0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 1.9360 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 1.1320 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.0820 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 4.0750 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 5.3140 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 5.8020 -2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 5.0280 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 3.5550 -2.8760 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.9860 1.5760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 3.3790 3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 1.4050 4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -0.5210 4.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 3.4240 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 0.5150 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 2.2110 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 5.7420 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 4.8740 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 2.4500 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 0.8680 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 5.9100 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 6.7860 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 5.2440 -4.6250 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 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 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 M END