IBS-ZINC05244664 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.1100 1.5010 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.0060 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.6840 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -2.0630 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -2.7740 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.0850 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.7050 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -4.2550 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -5.1030 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -6.3460 0.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -6.3650 -0.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -5.0680 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -4.7890 -1.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -5.7480 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -7.0850 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -7.3890 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -8.7010 -0.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -9.8050 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -10.8050 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -10.0670 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -9.0340 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -12.2940 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -12.8550 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -13.4660 0.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -5.3990 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -4.6590 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 1.8850 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.8460 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 1.8610 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.1320 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -2.5920 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6300 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.1700 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -7.8730 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -10.2990 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -9.4150 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -11.6830 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -10.3380 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -9.6120 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -10.4070 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -8.1360 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -9.4540 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -11.9080 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -13.0860 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -13.5990 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -12.0460 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -13.8440 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -4.3160 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -5.8000 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -5.8300 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -4.5690 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -5.3940 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -3.6940 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -11.2090 0.6690 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 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 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 54 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 M END