IBS-ZINC06661482 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2270 -0.6640 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.3390 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 2.0580 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 3.5380 0.0090 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1780 4.1660 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 4.1280 0.0020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2600 -2.0540 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.8170 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -4.3140 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -4.5430 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -5.1090 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -6.6060 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -6.9860 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -8.0520 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -6.1910 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -4.6940 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -6.6690 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -6.1880 2.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9180 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.5640 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.8640 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -2.5180 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -2.5720 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -2.5620 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -4.8800 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -4.8380 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -7.1720 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -6.8350 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -6.4620 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4200 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -4.1270 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -4.4640 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 0.0200 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -6.9200 3.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -6.7000 4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 35 2 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 6 1 M CHG 1 8 -1 M END