IBS-ZINC00545307 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.5030 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0040 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -0.7080 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -2.0890 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -2.0610 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -0.6800 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1720 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.8800 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -4.4320 -2.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -5.4390 -3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -6.6080 -2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -6.2270 -1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -6.3610 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -4.8700 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -4.2850 2.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -7.8510 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -8.8820 -2.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -7.8390 -4.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -8.6770 -5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -6.7150 -5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -6.7920 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -5.5000 -4.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.2970 -5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 1.8560 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 1.8810 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 1.8610 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 -0.1770 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -2.6380 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -2.5880 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -0.1270 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -7.0460 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -8.0310 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -6.7710 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -6.5770 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -4.1500 -5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -4.4140 -6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -3.4320 -4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END