IBS-ZINC02205881 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -0.0790 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -0.9260 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -0.5420 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 0.6910 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0280 1.4340 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 2.6260 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 3.5380 -2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9540 3.2340 -1.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 2.0980 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 1.2100 -0.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 4.7350 -2.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 5.6800 -3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 6.9110 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 2.6270 -2.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 1.4990 -1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 1.0770 -1.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 -1.4200 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -2.4840 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -3.0990 0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -2.2360 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 -3.5400 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -1.8260 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 1.8900 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 4.9470 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 5.9850 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2710 5.2020 -3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 6.6060 -4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 7.3890 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 7.4190 -4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 -1.9080 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -0.8120 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -2.0540 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -2.7120 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -3.0670 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -4.2960 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 -4.0110 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -1.0800 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -2.5860 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -1.3440 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 7.8580 -4.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 8.6800 -4.5850 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 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 20 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 19 2 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 18 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 42 53 1 0 0 0 0 53 54 1 0 0 0 0 M END