OTAVA-ZINC01290924 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 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 0.0230 -0.7000 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0790 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0660 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8080 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2550 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -4.9940 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -6.7050 0.2960 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -6.3950 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -5.0250 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -4.5800 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -3.3900 -1.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -5.5010 -1.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -6.8250 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -7.2490 -0.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -5.0710 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -4.9220 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -5.1530 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5150 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -4.3430 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1020 -3.9410 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 -3.7860 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 -4.1520 -3.0960 S 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 0.0240 -0.1610 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6210 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1380 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -3.0020 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.2060 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.7550 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -4.5910 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -7.5460 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -5.8160 -2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -4.1140 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 -4.5080 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0120 -3.7620 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 -3.4760 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 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 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 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 19 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 M END