PUBCHEM-ZINC05613850 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0310 1.5050 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.0010 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.6880 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.0690 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.7680 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.0760 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.6950 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.8310 -2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.1690 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -4.8750 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -6.2550 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -6.5580 -0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -4.8400 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -4.1740 -0.1410 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -7.1980 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -8.5600 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -9.1600 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -10.4570 -0.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -10.8390 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -9.6790 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -9.7830 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -11.0230 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -12.1670 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -12.0860 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -4.2690 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.8840 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.8580 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.8640 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.1430 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.6040 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.1560 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -3.0290 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -2.2350 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -3.7760 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -6.8770 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -8.6300 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -8.8960 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -11.1060 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -13.1330 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -12.9850 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -4.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END