IFLAB-ZINC02690213 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 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 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 0.1670 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -0.4280 -3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -1.8160 -3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -2.6010 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -1.9840 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -3.9960 -2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -3.9830 -3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -2.6670 -4.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -2.3860 -4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -5.2230 -4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -5.2490 -5.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -6.3720 -3.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -6.3620 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -7.8480 -1.8530 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -5.2070 -2.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -5.2240 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -7.6520 -4.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 -8.0860 -3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -9.4240 -4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 -9.8570 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 -11.1740 -4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -11.7140 -5.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 -11.7530 -4.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 -13.0340 -4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9650 -13.4610 -4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0900 -14.2400 -3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -14.6090 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4540 -14.1910 -3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2980 -13.4500 -4.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 -13.0860 -5.1920 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 1.1230 1.2440 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 0.1840 -3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.5830 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -8.4070 -4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -7.5430 -5.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -7.3320 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -8.1960 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -10.1780 -4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 -9.3140 -5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 -9.1030 -4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 -9.9670 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 -11.3220 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -13.7880 -4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -12.9240 -6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -14.5520 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4960 -15.2150 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4480 -14.4740 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 -12.4830 -6.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 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 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 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 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 33 54 1 0 0 0 0 M END