PUBCHEM-ZINC05887912 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 39 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 -1.1860 -0.6300 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 0.0140 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.1360 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -2.5700 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -3.8840 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.7080 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 -4.3310 0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8880 -3.9440 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 -3.8010 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 -4.3380 1.2930 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -5.7950 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -6.3110 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 -6.4250 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -5.7800 -0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 -7.9310 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 -8.3870 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 -9.9150 -1.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8000 -10.2910 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3320 -10.3630 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4830 -10.7240 -2.7060 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 -0.7530 -2.5140 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.5230 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -1.9120 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -4.1880 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -2.7110 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 -3.8090 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -8.3230 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -8.3030 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -7.9940 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -8.0140 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -11.4490 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3740 -10.3600 -0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -10.4410 -1.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -10.1070 -2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2250 -10.6560 -1.0670 H 0 0 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 19 21 1 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 M END