IFLAB-ZINC04328511 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -0.9460 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -0.5570 -2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 -1.5920 -1.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 -1.8130 -3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -1.4490 -4.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -1.7310 -5.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 -2.3670 -5.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 -2.6300 -3.5630 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 -2.8680 -6.6710 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -2.2820 -8.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 -2.6410 -9.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 -3.2340 -9.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5510 -2.3030 -10.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 -2.6510 -11.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 -2.1640 -12.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 -0.8970 -13.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -0.4500 -14.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 -1.2710 -14.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 -2.5390 -14.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -2.9870 -13.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -1.9030 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -2.7520 -7.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 -1.2000 -7.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 -1.8290 -10.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -2.1810 -11.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 -3.7340 -11.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2580 -0.2550 -13.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 0.5410 -14.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -0.9220 -15.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -3.1800 -14.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 -3.9800 -13.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END