IBS-ZINC00502223 MOE2007 3D Structure written by MMmdl. 37 40 0 0 0 0 0 0 0 0999 V2000 -4.1210 12.4460 -4.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 12.9430 -4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 12.1120 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 10.7780 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 10.2860 -3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 11.0930 -4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 8.9350 -3.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 8.3050 -3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 8.5770 -2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 7.3080 -2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 7.0640 -1.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 5.7640 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 5.1320 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 3.7470 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 3.3820 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 4.6690 -2.3090 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 2.0070 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 1.1540 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 1.3160 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 2.7700 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 5.8250 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 6.3850 1.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 13.1330 -5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 14.0020 -4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 12.4800 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 10.7000 -5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 6.5180 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.0480 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.5330 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 0.1010 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.4480 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 0.9970 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 0.6600 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 2.9920 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 2.8870 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 9.6980 -2.6600 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9690 9.7100 -2.1390 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 3 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 36 1 M END