IBS-ZINC05207946 MOE2007 3D Structure written by MMmdl. 45 49 0 0 0 0 0 0 0 0999 V2000 -8.6400 3.5940 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 2.7400 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 2.3790 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 1.5560 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 1.9970 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 0.8710 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 -0.2650 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7120 0.1800 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7980 -0.6130 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 -1.9210 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 -2.8370 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2970 -4.2100 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -4.6790 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -3.7720 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -2.4010 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -1.5840 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 0.7810 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.3250 -0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -1.2150 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.0710 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -0.8830 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.2730 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.0750 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 1.8820 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 1.2670 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 3.3030 -0.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9800 3.8420 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4500 3.0650 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 4.5310 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 3.2810 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 1.8270 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 1.8260 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 3.2750 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -2.4770 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1300 -4.9080 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 -5.7470 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -4.1510 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.9170 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -0.8570 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.4990 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 2.9160 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 3.6640 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 4.0400 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 1.7420 0.3780 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5840 2.6550 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 44 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 44 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END