IBS-ZINC02389575 MOE2007 3D Structure written by MMmdl. 45 47 0 0 1 0 0 0 0 0999 V2000 2.1470 10.8600 -5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 10.0200 -4.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 10.6030 -3.4810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 9.7930 -2.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 9.0240 -2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 8.2530 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 7.5340 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 7.5480 -2.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 8.3250 -3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 9.0650 -3.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 8.3170 -4.3860 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 9.7760 -5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 6.6830 0.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2700 6.3820 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 7.3830 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 7.8900 2.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 5.3600 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 3.7180 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 2.9490 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.6570 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 1.1830 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 1.9770 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 3.2580 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 4.3020 -0.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 4.2600 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 10.8900 -6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 11.8880 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 10.4360 -6.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 9.9890 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 8.9940 -4.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 10.6270 -4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 9.7700 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 8.2420 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 9.6300 -5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 9.9350 -6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 10.6670 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 3.3290 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 1.0010 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.1700 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 1.6120 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 4.7470 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 3.2270 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 4.7710 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 5.0010 1.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1840 5.5770 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 3 0 0 0 0 17 24 1 0 0 0 0 17 44 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END