PUBCHEM-ZINC04782569 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 0.9800 -1.1750 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -0.5090 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -0.6520 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.3600 -2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -0.5590 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -1.0530 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -1.3470 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -1.1480 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -1.4100 0.7330 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.8600 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -0.7980 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -1.2420 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -1.7570 3.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -1.0790 4.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -0.4940 4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -0.2460 5.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 0.3430 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 0.6560 6.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 0.5010 7.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 1.2470 5.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 1.2640 4.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.7160 4.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.1440 2.9260 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -1.5140 6.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -2.9620 6.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -3.4090 7.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -3.9980 7.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -4.4080 8.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 -4.2290 10.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -3.6400 10.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -3.2340 8.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -0.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -1.7760 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.7900 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 0.6150 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 0.6020 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 0.0260 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -0.3280 -4.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 -1.2050 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -1.7320 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 1.6570 3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.8730 6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -1.4450 6.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -3.6020 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -3.0300 6.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -4.1390 6.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -4.8680 9.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -4.5490 11.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -3.5000 10.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -2.7780 8.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 11 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 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 M END