PUBCHEM-ZINC04684388 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.5060 0.3350 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.3780 0.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7560 0.1110 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -1.8660 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -2.5970 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -3.8010 -0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -1.7020 -0.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.4220 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 0.5460 -0.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -2.0730 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -1.8180 -2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -2.1830 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -2.8040 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -3.0590 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -2.6890 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 -3.7210 -1.4210 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5380 -4.6120 -2.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 -3.3750 -0.3440 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7280 -3.1740 -4.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 -2.7970 -5.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -2.7400 -6.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 -1.9780 -7.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 -0.7240 -7.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 -0.8640 -8.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -1.8180 -7.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -3.2600 -7.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -3.8340 -6.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -0.1610 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 1.3740 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 0.3000 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -2.0980 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -2.1170 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -1.3350 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -1.9850 -4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -2.8830 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 -3.6810 -3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 -1.8180 -5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 -2.2280 -5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 -3.7520 -6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1120 -1.6890 -7.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -2.6170 -8.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 -0.6030 -6.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 0.1490 -7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 0.1120 -8.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 -1.2620 -9.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -1.5830 -6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -1.7050 -8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.8610 -8.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -3.2760 -8.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -4.7340 -6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -4.0830 -5.8140 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 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 7 10 1 0 0 0 0 8 9 2 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 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END