IFLAB-ZINC05143448 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.6790 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -4.0530 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -4.6100 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.7870 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -2.3980 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -1.5880 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -4.3820 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -3.5780 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 -4.0700 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7490 -5.4550 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -6.2720 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -5.7050 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -7.5810 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -7.5710 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 -8.5600 0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -6.2990 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7750 -6.0240 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -8.7260 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -9.3000 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -10.4270 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -10.9850 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -10.4160 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 -9.2900 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -8.7380 -2.3710 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.7530 -3.1650 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8770 -3.6270 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 -1.8290 0.0650 N 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 0.5120 -0.3560 -0.8950 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 0.6030 -2.2500 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -4.6940 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -5.6840 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -1.3480 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -8.8650 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -10.8740 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -11.8660 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 -10.8540 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 -1.4600 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3420 -1.2370 0.0760 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 M END