PUBCHEM-ZINC03021513 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.5280 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0020 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -0.4970 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -1.9230 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -2.3380 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -3.8640 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -4.2620 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -5.5680 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -6.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 -5.9680 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1700 -4.9930 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4840 -5.3630 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8320 -6.7120 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8400 -7.6900 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 -7.3230 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 -9.1230 0.0490 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3440 -9.9770 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3860 -9.4470 0.0620 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.5300 -7.1820 0.0660 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.3660 -5.6410 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8290 -4.9740 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4850 -3.7670 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6810 -3.2190 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2210 -3.8810 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5690 -5.0920 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3230 -2.0370 0.6230 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.9050 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.8810 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.8870 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -0.3610 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -0.3550 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -2.3220 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -2.3160 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -1.9390 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -1.9440 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -4.2630 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -4.2580 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 -3.5850 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -3.9460 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2560 -4.6080 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -8.0790 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6760 -5.4010 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8440 -3.2480 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3750 -3.4520 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2140 -5.6100 2.3710 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 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END