IBS-ZINC00080999 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0240 1.4380 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0110 0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6250 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 0.1140 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -0.5250 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -1.9160 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -2.6590 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.0090 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -4.0160 -0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -2.6060 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -1.9820 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 -2.9540 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 -4.1510 -0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 -5.0230 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -3.9070 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -0.6420 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7490 -0.2140 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5910 -0.3150 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8950 0.1180 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3720 0.6590 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5220 0.7600 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2180 0.3300 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7680 1.1230 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5060 1.0350 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2260 1.6450 -1.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6110 2.0810 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 1.8180 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.8330 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.7530 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1920 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0520 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -2.5800 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -4.3680 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2430 -2.8040 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 -0.7330 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5490 0.0380 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8870 1.1770 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5590 0.4110 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8500 2.4800 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2620 1.2350 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7600 2.8570 -0.7320 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END