IBS-ZINC05177733 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8250 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -2.6710 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -4.0380 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5740 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -3.7230 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -2.3530 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.5210 3.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -2.1310 4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -6.0390 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -6.8460 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -8.3400 1.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6410 -9.0380 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -9.1550 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -9.4090 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -9.4580 4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -9.2520 5.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -9.0010 4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -8.9520 3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -8.7320 2.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -10.0140 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -9.9430 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -10.6480 -0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -8.9550 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -8.1780 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -10.4230 0.4370 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -2.2580 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -4.6950 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -4.1340 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -2.7380 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -1.3570 5.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -2.7630 4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -6.4520 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -6.4330 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -9.5690 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -9.6560 5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -9.2870 6.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -8.8400 5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -10.1060 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -10.8520 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -8.7000 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -8.0110 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -8.6890 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -7.2190 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -11.0370 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -10.8970 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -10.3220 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END