IBS-ZINC05207574 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.1940 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0110 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.1400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 3.3560 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 1.3940 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.0010 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.6350 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 2.0500 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5710 2.2710 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 2.8420 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 3.0630 2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 4.0480 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 3.4770 3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 3.2560 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 4.2660 4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 3.6910 5.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 5.1000 5.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7260 5.3010 7.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8170 4.7090 7.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4220 4.0840 7.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9010 5.1680 8.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7760 4.9300 9.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 5.5610 11.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5170 6.4320 11.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 6.6790 10.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 6.0480 9.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1460 6.0900 7.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.7730 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.1800 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 1.4190 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 3.0110 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 1.3220 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 2.1400 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9970 3.7920 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 2.1140 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 3.4700 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 4.9980 2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 2.5280 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 4.1790 4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 4.2060 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 2.8500 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 5.5600 5.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6070 4.2530 9.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 5.3750 12.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3760 6.9190 12.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 7.3580 10.4760 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 31 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 M END