IBS-ZINC02235315 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5700 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -2.0970 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -2.7030 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -4.1640 -2.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -4.9690 -2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -6.2720 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -6.3400 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -4.9520 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.7020 -0.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -5.7130 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 -5.4540 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 -6.4860 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -7.8050 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -8.0950 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -7.0540 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -7.3290 -1.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -7.6430 -2.8770 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -8.6990 -1.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -7.1380 -3.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -8.1630 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -9.1140 -4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -9.5240 -5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -8.9790 -6.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -8.0240 -6.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -7.6220 -5.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -9.3790 -8.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -8.7760 -9.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -4.5110 -3.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.2510 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.2340 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -2.4160 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -2.4330 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -2.3830 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -2.3670 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -4.4380 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -6.2810 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -8.6070 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 -9.1220 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -9.5380 -3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -10.2670 -5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -7.5980 -7.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -6.8830 -5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -8.9860 -9.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -7.6980 -9.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -9.1830 -10.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -3.5600 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -5.1420 -3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 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 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END