IBS-ZINC06764237 MOE2007 3D Structure written by MMmdl. 50 53 0 0 0 0 0 0 0 0999 V2000 7.5670 4.7450 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4080 4.8170 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 5.2250 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 5.2180 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 3.8980 1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 3.3920 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 3.3680 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 3.2510 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 1.8540 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 0.6680 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.4470 0.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 0.0210 0.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 1.3880 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 2.1230 0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 3.4300 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 4.0150 0.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -0.9030 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -1.0890 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -0.3510 -2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -0.4730 -3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -1.3250 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -2.0770 -3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -1.9560 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -1.4730 -5.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 4.9110 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4800 5.5110 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6330 3.7670 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4330 4.0010 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 5.7750 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 4.5480 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 6.2390 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 5.5170 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 5.9710 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 4.0640 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 2.4060 2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 2.6680 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 3.1010 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 0.5530 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 4.1020 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.8570 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -0.5080 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 0.3350 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 0.1060 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -2.7600 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.5300 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -2.2700 -5.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -0.5410 -6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -1.7160 -5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 4.7530 0.6700 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1330 5.4150 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 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 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END