PUBCHEM-ZINC02837766 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 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 0.6010 -0.6030 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 0.0720 -1.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -2.0640 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -2.8490 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -4.1620 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.4790 -1.6250 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -2.8250 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -2.3180 -2.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -3.1560 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -4.3530 -2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -2.6060 -3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -3.9730 -4.1840 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -3.1240 -4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -4.1420 -5.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9610 -4.6860 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8210 -5.6190 -5.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6700 -6.0090 -6.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6590 -5.4640 -7.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8020 -4.5280 -6.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5900 -7.0090 -7.1940 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.4800 -7.4890 -6.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4570 -7.3520 -8.3550 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5490 -5.2270 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -4.5610 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -3.3590 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -2.2540 0.1530 C 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 -1.6080 -1.3610 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -2.0530 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -1.9380 -4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -2.5590 -4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -2.4440 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0790 -4.3810 -3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6110 -6.0440 -4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5410 -5.7690 -8.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -4.1000 -7.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -5.7120 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -5.9670 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -5.2760 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -4.2260 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 -3.6600 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -2.9890 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -1.8400 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -1.4670 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 9 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END