IBS-ZINC06658636 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 3 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -1.1740 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.1640 -2.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.6370 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -0.1300 -4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 1.2960 -4.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 1.8740 -6.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.1330 3.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7660 -0.6690 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -2.6620 3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -3.2830 5.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -1.6580 5.8970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3270 -1.4700 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.7400 4.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 0.1410 5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 1.2130 4.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -0.3900 6.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -1.5120 6.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -2.2180 8.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -1.8140 8.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -0.7000 8.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 0.0190 7.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -3.0330 3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -3.2080 2.2740 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 -0.5660 0.3830 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -0.2590 -3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -1.7260 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.5530 -5.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -0.4330 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 2.9580 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 1.4920 -6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 1.6130 -6.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -3.0880 8.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -2.3700 9.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -0.3870 8.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 0.8900 6.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -2.6820 4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -4.1160 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -2.5660 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -2.7450 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -4.2880 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -2.9800 2.4030 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 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 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 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END