PUBCHEM-ZINC03871996 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -2.1240 -3.9180 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -2.7840 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -1.8110 1.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -3.0150 -0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -1.9720 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -2.4730 -2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -1.7880 -3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -2.3230 -4.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.7190 -4.8470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4330 -4.3560 -4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -3.3320 -6.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9930 -3.3420 -6.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -1.9080 -5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.8590 -6.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -4.0060 -7.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -3.7240 -8.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -2.9990 -9.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -4.4150 -9.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -3.8550 -11.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -4.5010 -12.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -4.0060 -13.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2550 -4.1230 -13.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -4.7030 -14.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -3.7900 -15.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -4.1840 -3.5780 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -3.7940 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -0.3730 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -0.3150 -4.1830 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9700 -4.0090 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -4.8460 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -3.7200 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -1.0770 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -1.7570 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -4.6760 -7.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -5.4870 -9.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -4.2870 -9.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.7690 -11.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -4.0270 -11.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -5.5890 -12.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -4.3190 -11.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -3.7800 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -4.6140 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -5.9510 -14.6220 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0950 -2.5260 -13.6680 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7100 -1.9360 -13.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -2.1480 -12.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -2.5570 -14.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 0.5170 -2.9020 O 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 34 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 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 48 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 43 -1 M CHG 1 44 1 M END