IBS-ZINC01280223 MOE2007 3D Structure written by MMmdl. 40 44 0 0 1 0 0 0 0 0999 V2000 -0.3790 0.6640 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 1.5800 -1.2830 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4810 2.6190 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 1.1380 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 1.5800 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 1.4360 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 0.8830 3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 0.9110 4.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 1.4780 5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 2.0310 4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 1.9950 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 2.4620 2.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 2.9250 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 2.2030 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 2.5760 0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2870 3.5510 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 1.6620 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 2.0490 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 2.5500 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1250 3.0220 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 2.9430 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7910 2.4250 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 1.9810 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -0.3630 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 1.0120 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 0.6420 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 0.0430 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 1.5310 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 0.4400 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 0.4870 5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 1.4900 6.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 2.4710 5.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 2.4520 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 0.6890 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 3.4680 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 3.3010 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8350 2.3820 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 1.5970 -2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 1.5390 -1.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4130 0.6310 -0.5790 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