IBS-ZINC04023048 MOE2007 3D Structure written by MMmdl. 40 44 0 0 1 0 0 0 0 0999 V2000 1.0760 2.5970 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 1.6590 2.4820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1570 0.6710 2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 2.1690 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 3.0510 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 3.7770 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 3.9440 3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 4.7560 3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 5.3970 2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 5.2470 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 4.4300 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 4.1150 0.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 4.4780 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 3.2640 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 2.7230 0.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0680 3.4260 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 0.6790 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 1.0440 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 2.2160 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 2.7580 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 2.0970 -3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 0.9260 -3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 0.3940 -2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.6220 3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 2.2630 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 3.6270 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 2.6880 4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 1.2960 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 3.4500 4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 4.8890 4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 6.0260 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 5.7510 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -0.3810 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 1.0280 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 3.6800 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 2.5010 -4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 0.4370 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -0.5040 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.4580 1.0340 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3500 0.9080 1.0660 H 0 0 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 39 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 14 2 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 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END