IBS-ZINC04936094 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0220 -0.6620 1.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0320 2.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.6640 3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.1160 4.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -1.1040 5.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -1.1090 7.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.3080 7.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -3.5070 7.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -3.5160 5.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.3200 4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.0040 3.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6710 -1.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9600 -1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6370 -2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.9350 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.6250 -4.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -4.0090 -4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.7110 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -4.0350 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -6.4720 -3.5920 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -6.8930 -2.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -6.8690 -4.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.0020 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.1770 7.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -2.3130 8.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -4.4410 7.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -4.4550 5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.8550 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -2.0840 -5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.5440 -5.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.5840 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -6.9030 -3.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -7.8620 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 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 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 15 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 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 37 38 1 0 0 0 0 M END