PUBCHEM-ZINC05792087 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -1.3210 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -1.8010 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 -1.4830 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -0.6840 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -0.2130 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -1.9680 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 -3.2930 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0680 -3.3080 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 -2.0340 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4690 -1.2180 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9190 0.0790 -0.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 0.8740 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2810 0.0470 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6540 -1.2850 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0320 -1.6110 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3910 -2.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9420 -0.6200 -0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5570 0.6650 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4040 1.5340 -0.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2570 1.0150 -0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 2.4270 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3690 -0.9480 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -4.4630 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 -5.7520 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -6.6740 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -6.1530 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -4.3980 0.3930 S 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.5670 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -2.4220 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -0.4360 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 0.4050 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6910 -4.1880 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7660 2.7040 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6540 3.0420 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9340 2.5860 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7440 -0.9510 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9120 -0.2040 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5140 -1.9330 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 -6.0380 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -7.7390 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -6.7240 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 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 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 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 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 M CHG 1 13 1 M END