PUBCHEM-ZINC00387403 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 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 1.0830 -0.7920 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.1610 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.1660 -0.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4530 -1.9850 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.9160 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4430 -1.1680 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -0.5620 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -1.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -2.9650 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -3.2940 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -4.5290 -0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -5.5210 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -6.8210 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -7.1030 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -8.2960 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -9.2080 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -8.9270 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -7.7360 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -1.3920 -1.8280 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7560 -0.2700 -2.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -2.3370 -2.1020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4320 -3.2110 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -4.3340 0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -2.9900 1.0930 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 2.0990 -0.4260 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 0.4520 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -3.7060 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -5.1940 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -5.6630 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -6.3900 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -8.5150 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -10.1390 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -9.6390 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -7.5180 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -2.8360 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -3.8630 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -2.1110 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END