IBS-ZINC02132607 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 -0.8890 1.4320 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -0.0750 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -0.6820 -1.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -0.7430 -0.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -2.0950 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.7010 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -4.0800 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -4.8540 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -4.2340 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.8580 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -4.9800 -3.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -5.2920 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -4.9900 -3.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -6.0190 -4.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -6.3160 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -7.0390 -1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -6.8520 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -6.0180 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -4.6880 1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -8.1960 0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -8.6510 2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -9.2320 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -9.6870 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -9.5760 4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -9.0030 4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -8.5400 2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -10.0710 6.1330 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4320 -9.9740 6.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -10.5760 6.7660 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2410 1.8000 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 1.7960 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 1.7910 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.0980 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -2.3730 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -7.0950 -4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -5.7350 -5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -5.7540 -5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -6.4400 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -9.3230 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -10.1350 4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -8.9170 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -8.0920 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END