IBS-ZINC06719746 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0250 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -2.6710 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9290 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.5340 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1050 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -2.6180 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 -2.0340 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1990 -2.7990 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9380 -4.1210 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -4.3620 0.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9850 -5.2120 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2870 -4.5790 0.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5920 -3.3170 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6150 -2.2390 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 -5.1370 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2360 -4.5980 1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8320 -6.4300 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9180 -6.8150 2.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7730 -7.9690 3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7890 -8.4020 4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6390 -9.5750 4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4780 -10.3160 4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4640 -9.8860 3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6120 -8.7170 3.2760 C 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 -0.3370 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.7500 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 0.0440 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1840 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0060 -5.6990 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7620 -5.9440 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4880 -3.4580 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6120 -3.0120 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8670 -1.9400 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6790 -1.3750 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6560 -7.2080 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9330 -6.2950 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6960 -7.8240 4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4300 -9.9130 5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3630 -11.2330 5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5580 -10.4660 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8210 -8.3840 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 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 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M END