PUBCHEM-ZINC06592758 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 0.3860 -1.0360 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -2.5380 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -2.9640 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -4.4660 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -4.8920 0.5980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4730 -4.2850 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -4.6950 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -4.9730 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 -6.3670 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -6.7330 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -8.0980 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -8.3770 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4050 -9.8390 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8320 -10.1060 1.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3820 -11.6670 1.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.7980 -11.5910 0.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5840 -12.3340 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0100 -12.4150 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1400 -13.4870 2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -14.0740 3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 -13.5880 4.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2950 -12.5150 4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -11.9250 3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5100 -10.7730 3.6580 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.1190 -10.4260 4.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6640 -10.1720 2.6100 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4140 -0.7320 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.8130 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -0.4910 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -3.0830 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -2.7610 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -2.4190 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -2.7410 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -5.0110 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -4.6890 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -3.6700 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -5.3830 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -4.6970 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -6.0330 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -4.3860 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -6.9810 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -6.5230 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -8.7490 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 -8.2910 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 -7.7270 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -8.1850 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 -10.4900 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -10.0310 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4560 -9.3680 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6880 -13.8670 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 -14.9120 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -14.0460 5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7470 -12.1350 5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 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 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END