IBS-ZINC02402997 MOE2007 3D Structure written by MMmdl. 57 60 0 0 0 0 0 0 0 0999 V2000 6.7580 -1.2960 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -1.8160 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 -1.0040 0.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -1.3590 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -2.2830 2.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.4840 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.7610 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 0.0340 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1210 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 1.3970 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 0.5970 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 1.8390 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 3.2240 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 3.9510 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 5.3350 -1.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 6.0400 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 5.4050 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 3.9410 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 3.3670 2.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 6.1500 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 7.5410 2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 8.1730 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 7.4410 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 8.1460 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 9.1060 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 10.3330 -3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 10.5930 -3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 10.3220 -2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 9.5450 0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 3.3380 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -1.3330 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -0.2490 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 -1.8860 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -1.7530 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -2.8570 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -1.5980 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.1910 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 2.2160 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 0.8280 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 5.6510 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 8.1080 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 7.5050 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 8.4750 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 8.9830 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 8.1980 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 10.1650 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 11.1790 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 9.8940 -4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 11.6080 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 9.8630 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 11.2220 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 9.9010 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 3.6740 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 3.6510 -3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 2.2450 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 9.3730 -1.8680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4480 9.8630 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 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 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 56 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END