IFLAB-ZINC04275305 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5360 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.4730 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -1.9840 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -2.9100 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -4.2170 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -4.3360 0.1670 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -2.5970 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -1.8750 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -2.5130 -2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.0580 -2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.2970 2.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -6.5500 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -6.7330 1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -7.7000 3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -8.9990 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -10.0690 3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -9.8590 4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -8.5740 5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -7.4920 4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -8.3760 6.7450 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -2.5120 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -2.1960 4.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.4970 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9140 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8970 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8880 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -0.0220 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.1970 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -2.4350 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -1.9940 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -3.5630 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -3.1200 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -1.5450 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -1.6390 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -5.1510 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -9.1650 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -11.0740 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -10.7010 5.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -6.4900 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -0.1230 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -1.5870 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -0.1320 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.4560 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -0.0360 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 44 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 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 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 22 23 3 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M END