IBS-ZINC02134803 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -2.5210 -2.5240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9810 -2.0880 -3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -4.0240 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -4.6900 -2.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -4.6280 -2.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -4.0950 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -6.0880 -2.7160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8880 -6.5270 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -6.5420 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -7.6730 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -8.0890 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -7.3730 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -6.2420 -1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -5.8230 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -6.5320 -4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -5.7120 -5.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -2.1140 -2.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -2.5410 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -2.2240 -1.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -1.4310 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 -1.0910 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4590 -0.2840 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 0.1980 -4.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 -0.1240 -4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 -0.9400 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -1.3220 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -0.9370 -4.3740 O 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 0.5290 -0.3650 0.8850 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -8.2320 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 -8.9730 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -7.6990 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -5.6820 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -4.9370 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -3.1750 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 -1.4590 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5020 -0.0210 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 0.8300 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 0.2530 -5.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -7.8380 -4.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -8.0740 -5.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 51 52 1 0 0 0 0 M END