IFLAB-ZINC04166928 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 0.1630 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.4450 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8370 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -2.6120 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -1.9970 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -2.7500 -0.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -4.1690 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -2.4900 -4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -1.8720 -5.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -2.6180 -6.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -3.9390 -6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -4.2280 -4.6040 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -2.0230 -7.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -1.0730 -8.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -0.4940 -9.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 0.2710 -10.5580 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 0.7450 -11.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.6000 -10.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 1.6990 -9.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 2.9080 -9.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 3.8790 -9.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 3.4580 -8.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 1.7490 -9.0000 S 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 1.2400 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 0.1570 -3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.6900 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -4.4590 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -4.6480 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -4.4830 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -4.6990 -6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -1.4710 -7.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -2.8200 -8.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -1.6240 -8.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -0.2750 -7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -0.5580 -9.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.1140 -10.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 4.9000 -9.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 4.0730 -8.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 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 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 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 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END