IBS-ZINC00494858 MOE2007 3D Structure written by MMmdl. 38 41 0 0 0 0 0 0 0 0999 V2000 -4.6500 5.9540 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 6.7320 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 7.7520 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 7.9960 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 7.2200 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 6.1910 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 5.3540 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 5.9280 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 5.2120 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 3.8650 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 3.1360 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 3.8840 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 3.3140 0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 1.7410 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 1.0760 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 3.1710 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 3.8490 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 3.7540 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 2.4920 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 1.2270 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.1170 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 8.5870 0.1370 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2430 9.4860 0.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0300 8.3750 -0.6600 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5540 5.1600 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 6.5460 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 8.7940 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 7.4120 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 7.0060 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 1.1880 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 3.7300 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 4.6240 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 2.4970 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 2.4890 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 1.2560 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 0.3600 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END