IFLAB-ZINC05143635 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 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 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1600 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.4520 -3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.8370 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -2.6090 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.9960 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.7510 -0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -4.1700 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -2.4560 -4.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -1.8060 -5.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -2.8080 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 -2.4220 -7.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -1.1200 -7.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -0.2110 -6.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -0.5390 -5.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 1.2260 -7.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 1.6180 -8.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 2.9650 -8.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 3.8740 -7.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 3.5460 -6.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 2.2220 -6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.4360 -8.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -4.6190 -8.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -3.0470 -9.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -4.0230 -5.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -4.8970 -6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -3.7840 -4.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -4.6400 -3.7360 O 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 1.1250 1.2380 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 0.1480 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.6870 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -4.4590 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -4.6510 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -4.4830 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 0.8790 -9.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 3.2780 -9.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 4.3230 -6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 1.9600 -5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 -2.1030 -9.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 -3.7110 -10.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 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 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M END