PUBCHEM-ZINC05363375 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.6950 1.1510 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.3440 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -0.9280 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.3000 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -3.0870 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -2.5020 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -1.1300 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -4.8350 -0.2030 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -5.3890 -1.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -5.1780 1.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -5.1730 -0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -4.9190 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -4.4410 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -5.1940 -1.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -4.8290 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -5.6180 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -5.2550 -3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 -4.1070 -4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -3.3190 -3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -3.6740 -2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 -3.7200 -5.2380 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0490 -4.4140 -5.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 -2.7100 -5.8820 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7500 1.4140 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 1.4840 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 1.6350 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -0.3140 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -2.7560 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -3.1170 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -0.6740 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -5.5540 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -5.6460 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 -6.5150 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2720 -5.8680 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 -2.4230 -4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -3.0560 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END