PUBCHEM-ZINC01473270 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 1.5450 1.8530 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 0.7150 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 1.1750 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 1.2020 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 -0.2100 -2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -0.6850 -1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.8660 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -2.1600 -0.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2750 -1.9640 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -2.6790 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -3.8210 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -4.4080 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -5.5220 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -6.1170 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -5.6030 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -4.4940 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -3.8980 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -6.2420 0.3020 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6120 -7.2190 -0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 -5.7910 1.2270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3860 -3.1400 -0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -2.1960 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 0.0150 -2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 1.6160 -2.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 0.4320 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 2.1270 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 1.5230 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 2.7160 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 2.1760 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 0.4900 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 1.8980 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -0.2110 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -0.8910 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.0680 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.0160 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -2.9580 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -1.8980 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -5.9230 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -6.9830 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -4.0940 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -3.0340 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -3.3640 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -2.7600 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.4870 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4090 -3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.2270 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -0.3250 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 1.0930 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 1.6570 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 0.1390 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.3750 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 1.3310 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -0.4950 -0.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 29 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 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 53 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END