IFLAB-ZINC04166759 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 0.6600 -1.9920 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -2.6050 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -1.8360 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.4500 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1620 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -2.4580 -4.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -2.0220 -5.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 -2.9670 -6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -2.7580 -7.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -1.6830 -8.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -0.8230 -7.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -0.9760 -6.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -3.8960 -8.6890 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -3.1050 -10.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -3.9270 -11.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 -4.9460 -11.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -3.5290 -12.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -4.3280 -13.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 -4.0750 -15.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 -3.4980 -15.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 -3.9950 -15.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 -3.8950 -13.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -3.9150 -5.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -3.6470 -4.2770 N 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 0.2230 -2.5900 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -3.6830 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 0.1480 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 1.2400 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 0.0370 -8.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -3.0350 -10.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -2.1060 -10.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -2.7140 -12.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 -5.3860 -13.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -5.0110 -15.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -3.3580 -14.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -3.8840 -16.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 -2.4080 -15.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -5.0260 -15.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3140 -3.3450 -15.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 -2.8700 -13.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7300 -4.5730 -13.0990 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 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 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 35 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 25 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 M END