IBS-ZINC04805618 MOE2007 3D Structure written by MMmdl. 41 44 0 0 0 0 0 0 0 0999 V2000 0.2740 3.0970 9.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 2.7730 8.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.8250 7.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.5260 6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 2.2150 5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 3.1740 5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 3.4630 7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 3.6660 4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 2.9820 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 2.1420 4.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 1.5480 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 3.2640 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 4.2710 2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 4.8750 3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 4.6300 4.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 2.6330 1.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 1.2030 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.9340 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 3.1410 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 3.4190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 1.3390 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 3.9020 9.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 3.4130 9.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 2.2200 10.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 1.3040 8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 0.7880 5.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 4.2170 7.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 5.6550 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 0.7230 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 0.7140 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.1360 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 1.3070 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 3.5130 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 3.5970 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 4.4990 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 3.1650 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 0.2560 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 1.8360 -3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 1.7050 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 1.6440 -1.2450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3370 1.2920 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 40 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END