IFLAB-ZINC04696329 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.7000 -0.6320 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -2.3800 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -2.9220 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -4.2900 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -5.1350 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -4.6180 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -3.2340 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -2.6730 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -1.4680 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -3.4970 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -2.9690 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 -3.6690 0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -3.0020 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4010 -1.6740 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6790 -1.3000 0.0890 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.2700 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -4.7060 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -6.2060 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -5.2820 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -4.4580 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4990 -3.4900 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2060 -0.9540 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 M END