IBS-ZINC02344776 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 64 0 0 0 0 0 0 0 0999 V2000 0.5870 0.0130 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 0.9090 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 0.4660 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 1.2880 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 0.8420 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -0.4380 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -1.2610 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.8100 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -0.9190 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 -0.2010 -0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 -2.1540 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 -2.5730 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6170 -3.8310 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0290 -4.2250 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4170 -5.5360 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7410 -5.9030 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6940 -4.9750 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3140 -3.6660 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9880 -3.2920 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4260 -2.9620 1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4210 -3.9530 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0420 -5.0880 0.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3440 -1.6480 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7020 -0.7380 0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9120 -1.8070 -1.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8700 -0.8160 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4530 -1.2920 -3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3450 -0.2190 -4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2160 0.3240 -5.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5460 0.0920 -5.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2170 1.2640 -5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5940 2.1270 -6.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6740 2.9660 -6.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3840 2.9520 -5.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0270 2.1100 -4.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9370 1.2500 -4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3540 0.3190 -3.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 0.4900 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -0.2370 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -0.8960 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 2.2770 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 1.4810 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -2.2510 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -1.4470 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -2.7520 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -4.5450 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6800 -6.2610 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0390 -6.9150 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6930 -2.2800 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3870 -4.2040 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4140 -3.6020 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6870 -2.5780 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6750 -0.6930 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3630 0.1380 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6420 -1.4980 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0340 -2.2000 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0450 2.1420 -7.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9680 3.6380 -7.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2280 3.6140 -4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5870 2.1070 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 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 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 37 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 35 2 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 M END