PUBCHEM-ZINC05163070 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.1320 1.1940 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.1510 -0.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -0.6740 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 0.2120 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 1.5670 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 2.1300 -0.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 2.1870 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 1.2060 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 0.0000 0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 3.6160 0.2460 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8000 4.1370 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 4.0540 1.6650 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8940 3.3410 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 5.3490 1.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6030 5.6550 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 5.0550 -0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4970 5.9350 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 3.9980 -0.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 4.5760 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 4.5330 -1.4340 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4560 3.8520 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 3.6860 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7460 3.0990 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5910 2.9790 -2.5400 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 6.4140 1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 6.0460 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 4.3670 2.4190 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6660 -2.0440 -0.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 1.5680 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 1.4330 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 5.2560 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 3.5680 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8690 4.5310 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 2.8830 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 3.0280 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6420 4.6490 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 3.7450 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6060 2.1040 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -2.6180 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -2.4340 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 M CHG 1 27 -1 M END