IBS-ZINC05352003 MOE2007 3D Structure written by MMmdl. 39 41 0 0 0 0 0 0 0 0999 V2000 -7.6300 2.2400 10.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 3.2580 10.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 3.0080 8.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 3.9410 8.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 5.1340 9.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 5.3760 10.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 4.4370 10.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 4.7290 12.1800 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 6.1130 8.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 7.1660 9.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 5.7580 7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 4.5720 6.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 3.7120 7.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 4.2160 5.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 4.9810 4.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 3.0430 4.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 2.6570 3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 1.9180 2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 1.5380 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 1.8930 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 2.6230 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 3.0110 3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4060 0.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 0.2610 -0.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 1.3940 0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 2.6110 -1.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6180 2.4460 10.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 1.2420 10.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6700 2.2970 11.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 2.0870 8.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 6.2930 10.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 6.4290 6.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 2.4670 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 1.6410 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 0.9640 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 2.8940 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 3.5860 4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 2.4170 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 3.5100 -0.8950 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M END