IBS-ZINC02120822 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 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 3 0 0 0 0 0 0 0 0 0 3.5600 -1.7290 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -0.7310 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 -1.5470 -1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -1.7120 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 -1.1840 -3.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 -2.5360 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 -2.7010 -3.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 -3.4790 -3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1740 -3.8790 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2850 -3.6180 -6.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3340 -4.1510 -7.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2780 -4.9470 -6.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 -5.2140 -5.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1290 -4.6840 -4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7910 -4.7840 -2.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2920 -5.2870 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6430 -4.0700 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8990 -3.8510 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -3.1060 -1.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 -0.0430 0.8240 O 0 0 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 3.5210 -1.1580 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.2850 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -1.9680 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -2.2340 -4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5510 -2.9980 -6.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4200 -3.9490 -8.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0960 -5.3620 -6.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9210 -5.8360 -4.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2170 -4.2960 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 0.8730 0.5730 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 24 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 M END