IFLAB-ZINC04504040 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5020 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0050 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.6780 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -2.0800 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7610 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -2.0990 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.7310 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -0.0960 0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -0.7920 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -2.1240 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -2.7840 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -4.0040 -0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 0.0560 0.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -1.3540 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6050 -0.8550 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8290 0.3370 0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6280 -1.7330 0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9450 -1.2740 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3190 -0.0690 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6180 0.3850 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5510 -0.3590 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1800 -1.5670 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8780 -2.0250 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0830 -2.3150 1.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2770 -1.6500 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8230 -0.8380 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8240 0.1090 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8790 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.8690 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.8480 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -0.1350 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -2.6180 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.8410 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 -1.9490 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -1.9700 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 -2.6840 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5950 0.5140 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9070 1.3230 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5880 -2.9650 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0160 -2.3870 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0480 -0.9820 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0460 -1.5050 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7290 -0.3120 1.3150 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 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END