PUBCHEM-ZINC02814376 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.1270 -0.4740 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -1.8850 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -2.8210 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.8590 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -2.5230 -1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -1.0970 -0.9960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -1.0710 -2.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5680 -2.0460 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -0.0190 -3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -0.2680 -4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 0.6980 -5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 1.9110 -4.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 2.1600 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 1.1930 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -0.7490 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 0.0080 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 0.3160 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 -0.1350 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 0.1620 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0520 -0.3100 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 -1.0620 -4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -1.3370 -4.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 -0.9060 -3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -1.2090 -3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 1.1220 -0.0660 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6250 0.8710 0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 2.0380 0.3840 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9880 0.1930 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -0.1160 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -0.4930 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.2430 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -2.4630 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -3.8260 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -2.8400 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -0.5660 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.2160 -4.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 0.5030 -6.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 2.6660 -5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 3.1080 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 1.3860 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 0.3570 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6830 0.7480 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1110 -0.0990 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1230 -1.4290 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -1.9510 -4.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 -1.4290 -5.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END