IFLAB-ZINC04247654 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -1.0940 -2.5310 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -2.1570 -0.7050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8490 -2.7920 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -2.3650 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -1.3750 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 0.0530 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 0.3320 -0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9300 0.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -0.4670 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -1.0090 -3.5440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1550 -2.1010 -3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -0.3790 -4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -1.0210 -5.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -0.5090 -6.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -1.3830 -7.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -2.4750 -7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -2.2170 -6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -3.0950 -6.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -4.2600 -7.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -4.5440 -8.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -3.6630 -8.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -1.1500 -7.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 -2.0220 -8.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7600 -1.5580 -9.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -0.6760 -2.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -1.0250 -3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 1.7530 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -1.8690 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -2.5240 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -3.5490 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -3.3880 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -2.2610 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -1.5510 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -1.5270 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 0.7390 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 0.2640 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.6100 -2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -0.9160 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -0.4540 -5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 0.6830 -4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 0.4380 -5.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -2.8850 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -4.9530 -7.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -5.4540 -8.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -3.8970 -8.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -0.2120 -7.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 -2.2780 -9.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 1.8210 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 2.1070 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.4590 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -0.7090 -1.1660 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6090 -0.5940 -1.2910 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 2 4 1 0 0 0 0 2 51 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 51 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END