PUBCHEM-ZINC04267852 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8180 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -3.0790 -2.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -3.7570 -4.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -4.1960 -4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -4.8690 -6.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -5.0770 -6.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -4.6500 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -4.0050 -4.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -4.9030 -6.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -4.4620 -5.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8770 -4.6980 -5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1560 -5.3730 -6.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -5.8160 -7.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 -5.5780 -7.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 -6.4790 -8.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7790 -6.6850 -9.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.2170 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.7630 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -2.7770 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -4.0140 -4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -5.2220 -6.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 -3.9350 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6860 -4.3560 -4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 -5.5560 -7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -5.9180 -7.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2800 -5.7200 -9.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 -7.2240 -9.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2490 -7.2660 -8.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 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 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END