IBS-ZINC05158479 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0570 1.3780 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.0120 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -0.6720 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 0.0360 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 1.4430 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 2.1070 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -0.6670 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 0.1020 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 -0.6020 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3550 -0.1660 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 1.0760 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 1.0930 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 -0.0960 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5160 -1.3410 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1220 -1.3270 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 -2.4330 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -1.9840 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 -2.7310 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -2.0200 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 -4.1080 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -4.8270 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -6.3290 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -7.1050 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -8.6240 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -9.0720 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 1.8920 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.5880 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7620 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 2.0440 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 3.1940 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4520 2.0050 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9400 2.0470 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2400 -0.0520 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0710 -2.2720 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -4.6030 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -4.5630 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -4.5530 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -6.5960 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 -6.6060 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -6.8350 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -6.8260 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -9.2490 -0.0550 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 19 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 17 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 42 -1 M END