IFLAB-ZINC04315072 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0380 -0.4670 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 0.4980 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -0.1220 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.0320 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.6210 -3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -1.3150 -3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -1.4120 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.8230 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -1.9390 -4.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -1.9610 -5.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -1.4390 -5.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -2.7290 -6.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -3.0730 -9.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -3.2330 -10.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -4.4700 -10.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -4.4110 -8.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -4.2560 -7.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -4.6680 -11.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -3.8030 -11.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -2.9520 -11.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -4.2910 -12.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -3.8240 -13.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -4.6010 -14.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -5.7830 -14.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -6.2280 -14.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -5.4630 -13.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -5.6780 -12.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.7820 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -1.3670 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 0.0100 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 1.4050 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 0.8250 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 0.5000 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -0.5160 -4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 -1.9460 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -0.9150 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -2.4110 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -2.0900 -7.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -3.6770 -6.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -3.9070 -9.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -2.1310 -9.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -2.3290 -10.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -3.3080 -11.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -5.3490 -10.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -3.5750 -8.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -5.3240 -8.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -4.1230 -6.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -5.1170 -7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -2.9070 -13.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -4.2770 -15.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -6.3650 -15.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -7.1450 -14.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -3.0290 -7.9770 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7440 -2.2190 -7.9750 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 31 1 0 0 0 0 2 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END