PUBCHEM-ZINC05010611 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8060 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -0.3340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 0.6820 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 0.4740 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 -0.8220 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -1.8720 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -1.5910 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -3.1870 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 -1.0960 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5620 0.1420 0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1700 0.2270 0.0810 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.8680 -0.9730 -1.1620 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 -0.1450 1.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7450 -1.4830 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3070 -1.4810 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6970 -0.3010 4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1870 -0.3330 5.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3060 -1.4780 5.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9420 -2.6310 5.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4490 -2.6730 4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0760 -3.8800 3.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9630 -1.4670 7.5750 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.2680 0.3050 7.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6320 1.7220 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 2.2360 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 3.6580 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4990 4.2670 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9340 5.5180 -0.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9740 6.1890 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 5.6410 -2.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1330 4.3910 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7210 3.8230 -4.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5600 7.8510 -1.6540 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.9330 8.0530 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1830 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1670 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1570 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 1.3090 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -3.3840 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -3.9110 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 -1.6620 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -1.6730 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3750 -2.0970 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7340 -1.8900 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6040 0.6380 3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7130 -3.9020 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1780 -4.7040 4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9700 0.6430 7.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6880 0.4900 8.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3290 0.8500 7.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5570 2.2100 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2140 1.6260 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4700 3.7290 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3960 2.9090 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7580 4.3380 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3170 9.0570 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6820 7.3190 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0240 7.9040 0.6900 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 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 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END