IBS-ZINC04820233 MOE2007 3D Structure written by MMmdl. 54 57 0 0 1 0 0 0 0 0999 V2000 4.1430 2.5580 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 1.5320 2.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4990 2.0380 2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 0.8240 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 0.0000 1.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -0.9180 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -0.1210 0.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2180 0.6040 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 0.5640 1.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -1.0800 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 0.0790 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 0.7820 2.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.6890 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -2.0640 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.7910 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -2.1600 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -0.7740 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -0.0340 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 1.3260 0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 1.6210 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 3.1300 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 3.5620 0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -0.1010 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 1.0980 -1.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -0.8830 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -0.2540 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -0.9940 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -2.3580 -4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -2.9990 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -2.2690 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -2.9450 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -4.1420 -1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 3.2920 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 3.0610 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 2.0510 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 1.5640 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 0.1880 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -1.7260 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.3300 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -1.8060 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -1.6020 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -0.5160 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -2.5640 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -3.8560 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 1.7950 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 1.1090 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 1.2770 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 3.3570 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 3.6480 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 4.5100 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 0.8100 -3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -0.5040 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -2.9250 -5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -4.0640 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M END