PUBCHEM-ZINC06912038 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7560 -0.5760 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.6950 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.8410 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -1.1750 -1.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.5460 -1.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -0.6240 -2.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5520 0.3770 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -1.4470 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -0.7110 -0.0940 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -1.3240 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -1.7270 -3.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -1.5030 -4.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.1840 -5.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -1.3040 -7.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.1920 -6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -1.0280 -4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -0.3150 -8.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 0.0830 -8.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 0.7430 -9.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 1.0080 -10.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 0.6130 -10.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -0.0470 -9.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 1.7160 -12.0430 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3460 2.0640 -12.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.9500 -12.7980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 0.1150 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -1.5530 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 0.2050 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -1.5750 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -1.2840 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -2.5080 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -2.3350 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -3.1460 -5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.3850 -6.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -1.8410 -7.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 0.0760 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 0.7150 -5.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -1.8820 -4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -0.4150 -3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -0.1240 -8.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 1.0520 -10.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 0.8220 -11.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.3540 -8.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.9780 -7.1730 N 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 7 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 49 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 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