ENAMINE-ZINC00091501 MOE2007 3D Structure written by MMmdl. 39 41 0 0 1 0 0 0 0 0999 V2000 4.8250 4.2110 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 2.9810 -0.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9620 2.7840 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 1.7420 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 0.4650 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 0.6910 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 1.9670 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 1.9670 0.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.2790 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.2890 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -1.7460 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -2.2330 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -0.4560 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 0.0060 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 1.1670 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -1.1240 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -0.8670 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 -1.8510 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1920 -1.6370 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9490 -2.8440 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 -3.9550 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 -3.5350 0.1280 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 3.2410 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 4.4470 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 4.0470 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 5.0860 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 1.5920 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 1.9090 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -0.3150 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 0.1200 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -1.4750 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -2.1280 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 0.1710 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -0.6490 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0300 -2.8930 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 -4.9930 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 3.9820 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 3.6590 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -2.4290 -0.0050 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 1 39 -1 M END