IBS-ZINC05071789 MOE2007 3D Structure written by MMmdl. 46 49 0 0 0 0 0 0 0 0999 V2000 8.5820 7.7460 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 7.5460 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 6.0590 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 4.9970 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 5.4850 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 6.1280 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 7.1790 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 5.1080 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 5.9830 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 7.3850 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 8.1620 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 7.5560 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 6.1840 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 5.3920 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 4.0970 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 3.3460 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 3.8130 0.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 1.9210 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.3410 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -0.0050 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.7490 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -0.1110 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 1.1920 0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 8.3500 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 6.7900 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 8.2730 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 8.4850 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 7.1030 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 6.9210 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 5.6290 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 4.7310 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 4.0910 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 5.3530 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 6.5920 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 8.0380 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 7.5170 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 7.8900 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 9.2330 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 8.1470 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 5.7230 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.9240 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -0.4680 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -1.7980 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.6470 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 6.5850 -0.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9640 5.7710 -0.5500 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 27 1 0 0 0 0 2 28 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 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 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 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 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END