IBS-ZINC02375372 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8090 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -2.3230 -2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.6860 -2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5520 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -4.0300 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -2.6660 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -6.0130 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -6.7350 -3.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -8.0340 -2.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -8.1840 -1.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -6.9280 -0.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -6.6630 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -7.6610 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -7.0420 2.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -5.6580 2.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -5.4870 0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -9.0320 1.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -6.1730 -4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -4.9730 -4.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -6.9870 -5.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -6.4520 -6.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -7.2370 -7.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -6.6760 -8.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -7.3660 -10.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -6.5030 -11.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -6.7610 -11.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -5.2090 -10.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -5.2550 -9.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -4.0810 -8.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -2.8760 -9.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -2.8300 -10.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -3.9820 -11.1480 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 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 1.8260 -1.6540 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -4.0850 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -4.6960 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -2.2620 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -9.4030 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -9.6170 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -7.9440 -5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -8.3020 -7.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -8.4370 -10.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -4.1140 -7.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.9640 -8.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -1.8800 -10.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -3.9350 -12.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 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 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 2 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 M END