IFLAB-ZINC04263806 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 0.0040 1.4490 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.0160 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -0.7670 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -0.3450 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -2.1920 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -3.3870 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -4.5920 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -4.6110 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -3.4160 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -2.2020 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -0.7880 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -0.3850 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -3.4390 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -4.4050 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -5.3030 -1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 -4.3720 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -5.3740 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9380 -5.3430 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 -4.3110 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9640 -3.3100 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5900 -3.3440 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0780 -4.2790 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2120 -4.2540 -1.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.8220 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 1.8130 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.8020 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -3.3830 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -5.5220 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -5.5550 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -2.7590 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -6.1720 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 -6.1170 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5140 -2.5120 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -2.5720 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 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 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 3 0 0 0 0 M END