PUBCHEM-ZINC05981913 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.0550 -0.1380 -4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 0.2650 -2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -0.3880 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 0.0720 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -0.4980 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -1.5310 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -2.0070 -2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -1.4370 -3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -2.1630 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 -1.5570 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -0.1160 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 0.5460 -1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 0.3700 0.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3830 -0.2120 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5620 1.7660 0.8840 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.7870 2.4200 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9260 2.0490 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 2.0010 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4770 2.5230 -1.9980 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.0580 2.3660 -3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7520 2.0880 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8960 1.0600 3.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 0.4880 -4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -1.1790 -4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 0.0210 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 0.8870 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -0.1190 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -2.8150 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -1.8340 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -3.2420 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9370 -2.1490 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6660 1.3240 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2750 3.0420 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0930 2.6680 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6780 0.9840 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2290 3.0310 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7880 1.3330 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9260 2.6450 -4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 3.3120 2.7070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 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 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 39 -1 M END