IBS-ZINC02209314 MOE2007 3D Structure written by MMmdl. 42 46 0 0 1 0 0 0 0 0999 V2000 -6.4120 1.7620 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 2.9370 4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 4.0900 3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 4.0690 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 2.8930 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9620 1.7410 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 2.8690 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 2.7780 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 1.5400 0.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9400 0.9600 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 1.9670 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 1.2140 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 2.0060 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 1.3930 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 2.1640 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 3.5480 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 4.1710 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 3.4080 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 4.0000 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 3.3220 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 3.8140 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 4.9840 0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 0.7240 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -0.6210 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.1570 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -0.3210 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 1.2770 2.9280 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 5.5170 1.4660 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.8000 0.8610 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 2.9530 5.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 5.0080 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 0.8240 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 3.7830 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 2.0060 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 0.3160 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 1.6920 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 4.1450 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 5.2490 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -1.2650 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -2.2250 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -0.5600 4.7110 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