PUBCHEM-ZINC03032009 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -0.6320 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -2.1040 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.8520 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -4.2160 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -4.8640 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -4.1230 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -2.7580 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -4.8150 0.0130 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8740 -4.1680 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -6.0320 0.0080 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4230 -6.6250 -0.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -7.1010 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -8.6040 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -9.2870 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -9.1900 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -10.6500 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -11.0520 -0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7520 -10.5720 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -12.5880 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -12.9120 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -11.5340 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -10.7000 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.3500 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -4.7940 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -2.1840 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -6.6960 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -6.7050 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -8.6440 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -11.0550 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -11.0460 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -13.0770 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -12.8900 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -13.5610 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -13.3740 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3840 -11.6170 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -11.1270 0.6160 H 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END