ENAMINE-ZINC03382169 MOE2007 3D Structure written by MMmdl. 51 53 0 0 0 0 0 0 0 0999 V2000 0.4360 -1.0140 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 0.3050 -0.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 0.7050 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 1.5240 -0.4850 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 2.7030 -0.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 0.9450 -1.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 1.9110 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 1.2490 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 1.5910 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 2.5980 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 3.2610 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 2.9260 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 2.8890 4.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 3.8360 5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 4.5930 5.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 3.8900 7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 5.0740 6.6880 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 5.5970 8.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 5.7820 10.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 6.5920 10.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 6.4450 9.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 7.0490 8.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 5.5880 11.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9490 6.5980 12.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8970 6.3970 13.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5800 5.1870 13.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3170 4.1750 12.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 4.3740 11.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.3240 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7700 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.9980 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 0.8190 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -0.0590 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 1.6390 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 0.4760 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 1.0600 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 4.0540 3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 3.4650 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 2.3400 5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 2.9050 7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 4.1940 7.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 7.2480 11.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 8.0540 8.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 6.9300 9.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 7.5630 12.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1050 7.1880 14.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3170 5.0320 14.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8490 3.2290 12.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 3.5550 10.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 5.1770 9.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4360 4.5510 8.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 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 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 18 50 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END