PUBCHEM-ZINC05273560 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -0.0340 1.5330 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.0030 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.4970 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.5340 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9720 -0.1780 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -2.0400 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -2.6580 0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -2.7010 -1.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -4.0950 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -4.8560 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -6.2320 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -6.8520 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -6.0970 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -4.7210 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -8.3260 -0.8440 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2570 -8.9930 -0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -8.8740 -1.3220 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.0610 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 1.1500 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 1.8490 0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 1.6370 2.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9600 0.8100 2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 2.1750 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 2.5470 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 1.6100 5.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 1.9510 6.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 3.2300 7.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 4.1680 6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 3.8280 4.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.9150 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 1.8890 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.8840 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.3490 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -0.1450 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.5870 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -0.1150 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -2.2100 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -4.3730 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -6.8240 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -6.5840 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -4.1320 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -0.6200 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 1.4080 3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 3.0560 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 0.6100 5.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 1.2180 7.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 3.4970 8.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 5.1680 6.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 4.5620 4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 3.4850 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 2.7070 2.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 2.3600 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 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 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END