PUBCHEM-ZINC04537055 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.4110 1.8560 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 0.3820 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 0.0760 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -0.5620 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.4810 2.8680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1850 0.5450 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -1.3310 3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -2.4910 3.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.0370 3.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -0.3300 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.8780 3.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -1.1860 4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -0.3480 4.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -0.8480 4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -2.0320 4.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 0.2130 4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 -0.4070 5.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4170 0.2790 5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5640 1.4810 5.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3940 -0.5830 5.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6750 0.0250 5.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6420 -1.0560 6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8120 -1.3910 7.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6870 -2.4130 7.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3940 -3.1140 6.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2250 -2.7970 5.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3500 -1.7750 5.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 2.0770 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 2.5010 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 2.1390 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 0.2020 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.2400 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -0.9650 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 0.7160 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -1.5950 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.3580 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -2.0290 3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -1.9880 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -1.6150 5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 0.6410 3.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 0.9740 5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1410 0.6850 3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2610 -1.4080 5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6170 0.7900 6.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0100 0.5040 4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2570 -0.8610 8.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8150 -2.6660 8.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0730 -3.9120 7.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7710 -3.3490 4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2180 -1.5470 4.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -0.7670 3.3700 O 0 5 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 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 51 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 M CHG 1 51 -1 M END