IFLAB-ZINC02966209 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5030 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -0.7100 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -2.0900 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -2.0550 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -0.6750 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.1450 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0360 -4.8820 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -4.3470 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -5.4200 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -6.7510 -3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -7.2840 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -6.2260 -0.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -6.4010 0.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1920 -4.9910 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -6.7810 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -6.3440 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -6.6900 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -7.4770 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -7.9180 1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -7.5620 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -8.6910 2.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -9.1060 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 -7.8190 0.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -7.3310 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -7.3700 1.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 1.8680 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 1.8780 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 1.8520 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -0.1800 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -2.6400 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -2.5780 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -0.1180 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -3.4400 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.1280 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -5.5360 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -5.1210 -4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -7.4710 -3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -6.5980 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -7.5710 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -8.1480 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -4.6810 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -4.9650 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -5.7300 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -6.3470 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -7.8990 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -9.7160 4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -8.2290 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -9.6920 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 -7.6760 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 -7.7050 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -6.2420 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -7.5210 2.1740 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 16 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 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 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 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 43 1 0 0 0 0 16 44 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M CHG 1 8 1 M END