PUBCHEM-ZINC02983291 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -1.9970 1.2310 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 0.0710 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 0.2240 -0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -1.1250 -0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -2.4240 -0.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9030 -3.0910 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.4810 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -2.2870 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -3.3650 3.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -3.1860 4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -1.9290 5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -0.8510 4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -1.0290 3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -2.9840 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -2.2930 -2.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -4.3500 -1.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -5.1910 -2.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9820 -4.6440 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -5.6250 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -4.4650 -4.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -5.0830 -5.5870 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -3.5000 -6.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -6.5110 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -6.7170 -0.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 2.0760 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 0.9580 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 1.5250 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -1.1190 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -3.4530 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -1.7560 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -4.3520 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -4.0280 4.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -1.7890 5.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 0.1280 4.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.1830 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -4.9070 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -6.3880 -4.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -6.0990 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -3.7680 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -3.9320 -4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -3.0340 -6.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -3.6700 -7.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -2.8290 -5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -7.1870 -2.5250 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 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 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 M CHG 1 44 -1 M END