PUBCHEM-ZINC06175112 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.8170 0.2160 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -1.0270 0.9010 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.0530 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -2.2780 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -2.3420 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -1.1800 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 0.0470 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 0.1070 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -1.2960 0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0440 -2.3560 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -0.8000 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 -1.6730 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 -0.9940 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 0.6930 -3.4080 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 0.5200 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 -0.7430 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6490 -0.6730 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -1.4950 3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 -1.0990 2.5850 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6030 -1.9450 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 0.0460 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 1.1760 2.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 0.2510 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -0.0460 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 1.2080 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -3.1970 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -3.3170 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 0.9790 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 1.0720 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 -2.7540 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -1.4100 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 1.4140 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2960 -1.7120 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4200 0.0780 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6670 0.3640 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6660 -1.0710 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -1.3140 4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8350 -2.5630 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5940 -0.6290 1.1370 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3580 0.3780 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 -0.2960 4.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 0.5080 4.9980 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 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 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 39 1 M END