IBS-ZINC05194748 MOE2007 3D Structure written by MMmdl. 47 51 0 0 0 0 0 0 0 0999 V2000 -0.8460 -5.9180 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -4.5550 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -4.4300 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.1730 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -2.0200 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -2.1660 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -3.4140 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -0.9020 -0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -0.7160 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.0550 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -0.6260 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.0040 0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.3250 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 2.0620 -0.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 1.4500 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 2.2330 -0.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 1.8500 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 2.1550 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 3.5490 -0.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 3.9420 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 3.6160 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 4.3990 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 4.3810 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2420 5.2840 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 6.2030 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 6.1910 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -6.3230 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -6.6050 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -5.8710 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -5.3150 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -3.0860 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -3.4990 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.8780 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 2.4370 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 0.8020 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 1.4950 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 1.9120 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 3.4030 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 5.0140 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 3.8170 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 4.2920 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 3.6860 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7550 5.2710 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 6.9140 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1440 6.8680 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 5.3100 0.2180 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4740 5.2870 1.1230 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 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 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 46 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END