PUBCHEM-ZINC02858734 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 0 0 0 0 0 0999 V2000 -0.5140 1.5030 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 0.0390 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -0.3740 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -1.7170 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.6480 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.2350 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -0.8920 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -4.3600 -0.3040 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.9690 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -4.4280 0.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -4.9870 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -5.4330 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -6.9140 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -7.5370 -0.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -7.5480 -2.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -8.9380 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -9.5920 -2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -10.9640 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -11.6870 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -11.0390 -2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -9.6680 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -8.9630 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -11.8170 -3.3680 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9720 -12.9220 -2.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -11.3510 -4.2160 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6630 -5.0900 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -5.8590 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -5.9610 3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -5.2950 4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -4.5270 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -4.4190 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -5.3960 5.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 -4.6840 5.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.9530 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.6150 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 2.0000 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 0.3530 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.0390 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -2.9620 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -0.5710 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -5.2230 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -4.9020 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -7.0410 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -9.0280 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -11.4730 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -12.7600 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -8.7620 -4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -9.5940 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -8.0220 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -6.3780 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -6.5590 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -4.0090 3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -3.8170 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -3.6190 5.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -5.0410 5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -4.8500 6.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END