IBS-ZINC06664953 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0240 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1010 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6290 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -2.8750 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 -3.5770 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2980 -3.8540 0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -3.8970 2.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6330 -4.5800 2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0710 -4.8260 4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4040 -5.5280 4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6130 -6.8550 4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9360 -7.0710 4.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5540 -5.9290 4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6350 -4.9410 4.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8130 -3.9920 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.6010 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -3.7440 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -2.0080 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -3.5830 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -3.4950 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -1.9210 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9000 -3.6760 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3740 -3.9590 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5450 -5.5340 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -5.4460 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1590 -3.8720 4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8490 -7.6120 3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6240 -5.7960 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 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 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 M END