IBS-ZINC02245049 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -2.6270 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4530 -2.8560 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 -3.5350 -1.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9900 -2.9300 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9610 -4.0300 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2560 -3.7580 -1.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6650 -2.4850 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0400 -2.1820 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4460 -0.8840 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5190 0.1570 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1830 -0.0960 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7220 -1.4260 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4080 -1.6860 -1.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2440 -5.1700 -1.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -4.8920 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -5.8970 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -7.2260 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -7.9420 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -7.2270 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -5.5860 -1.8210 S 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 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -3.5870 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -2.0100 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -1.8960 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -3.4730 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7700 -2.9780 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5020 -0.6570 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8670 1.1800 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4770 0.7210 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 -7.6690 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -9.0050 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -7.6340 -1.7080 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 M END