IBS-ZINC04160101 MOE2007 3D Structure written by MMmdl. 57 61 0 0 0 0 0 0 0 0999 V2000 2.5290 0.0860 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 0.4620 -2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -0.0260 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 0.1780 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 0.9550 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 1.3480 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.0830 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 1.6770 3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 2.4990 2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 2.7630 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 2.1680 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 1.4760 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 1.2140 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 1.7380 -3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.1940 -4.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -0.2520 0.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -1.6160 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -2.4440 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -3.8490 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -4.8820 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -6.1790 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -6.4540 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -5.4340 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -4.1360 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -0.6990 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 0.1300 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 1.4310 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 2.1850 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2170 1.6450 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 0.3480 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 -0.4070 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 0.5200 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -1.0030 -4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 0.4360 -4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 0.4450 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.4940 4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 2.9360 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 3.3890 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 0.4930 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -2.1030 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -1.5720 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -1.9680 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.4810 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -4.6850 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -6.9780 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -7.4640 3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -5.6500 4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -3.3530 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.6790 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -0.9490 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 1.8710 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 3.1930 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0380 2.2310 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6450 -0.0780 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 -1.4200 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 2.2220 -0.9780 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3430 2.7360 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 13 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 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 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 56 1 0 0 0 0 12 13 1 0 0 0 0 12 56 2 0 0 0 0 13 14 1 0 0 0 0 14 15 3 0 0 0 0 16 17 1 0 0 0 0 16 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 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END