IBS-ZINC05054499 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.9400 -1.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -1.6040 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 -1.8290 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -2.5000 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 -2.9020 -2.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 -2.6700 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 -2.0290 -0.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -3.1020 0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2520 -3.8070 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8980 -4.1670 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 -5.3070 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4990 -5.2260 3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1340 -4.0410 2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 -3.4060 1.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 -2.7480 -4.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -1.3670 -4.1400 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0570 -0.2560 -4.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -2.0980 -4.6060 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -0.6280 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7020 -2.9390 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0530 -4.7160 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9220 -3.1620 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 -6.1270 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5810 -5.9720 3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8220 -3.6650 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 -2.4530 -5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 -3.2160 -4.6610 H 0 0 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 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END