IBS-ZINC06665128 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 55 0 0 1 0 0 0 0 0999 V2000 -0.0230 1.3680 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.6020 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 0.9400 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0310 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -0.2000 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 0.4690 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -0.6800 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -2.0230 0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 0.0260 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 1.4220 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 1.7310 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 2.8490 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 0.5930 -0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 -0.5470 -0.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5050 -1.1560 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 -1.3800 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -2.7230 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 -3.0790 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -1.9320 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 -0.9060 -2.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 0.5050 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 0.4620 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7830 0.3710 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5200 -0.7500 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8430 -0.4410 0.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5670 -1.0860 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9930 0.9220 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7080 1.4910 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5510 2.8740 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6460 3.6700 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9150 3.1150 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0940 1.7520 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 2.2380 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 1.8920 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 2.3040 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 1.1240 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -0.9020 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 0.2920 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2050 -3.3990 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 -4.0800 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -1.8500 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8920 -0.4010 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 1.3760 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 1.3670 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9220 -0.4090 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1270 -1.7490 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5660 3.3140 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5240 4.7410 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7710 3.7570 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0850 1.3290 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -2.4000 0.1100 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 33 2 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 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 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 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 M END