PUBCHEM-ZINC06161128 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0340 1.4600 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.0040 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.8050 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.0920 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.0970 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.7990 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.3300 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 1.0090 -2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 0.9520 -4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -0.3710 -4.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -0.7170 -5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -1.0880 -3.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 2.0900 -5.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 3.2240 -4.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.8760 -6.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 2.9600 -7.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 2.7390 -8.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 1.4960 -9.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 3.8850 -9.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 5.1860 -9.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 6.2500 -10.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 6.0270 -11.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 4.7380 -11.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 3.6660 -11.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 4.5080 -13.4270 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3780 5.4530 -14.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 3.3740 -13.8510 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9640 1.8450 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 1.8150 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.8110 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -0.4660 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -2.9620 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -2.9690 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 1.8920 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 0.9720 -6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 3.8650 -7.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 1.3240 -10.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.6600 -8.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 5.3610 -8.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 7.2580 -9.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 6.8620 -12.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 2.6600 -11.4880 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 6 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 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 1 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 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 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END