IBS-ZINC01447965 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 3.9860 12.5880 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 11.7470 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 12.3700 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 11.5480 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 12.0520 0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 10.0860 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 9.2180 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 7.8690 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 7.3550 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 8.2030 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 9.5780 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 10.4170 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 6.0110 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 5.4160 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 6.0900 2.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 3.9460 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 3.1690 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 1.7960 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 1.1880 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 1.9510 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 3.3260 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 1.2920 3.6870 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7210 0.0790 3.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 1.9630 4.6660 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4500 13.8510 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 14.6030 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 15.9800 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 16.6140 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 15.8720 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 14.4950 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 12.7660 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 12.0640 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 13.5410 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 9.6130 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 7.1960 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 7.7960 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 3.6420 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 1.1940 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 0.1130 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.9210 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 14.1100 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 16.5640 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 17.6920 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 16.3720 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 13.9170 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 12 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 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 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 10 36 1 0 0 0 0 11 12 1 0 0 0 0 13 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END