PUBCHEM-ZINC06545601 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 0.0790 0.8740 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 1.5610 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 2.0460 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 2.6850 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 2.7880 -3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 2.2720 -3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 1.6930 -2.5160 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7870 3.4200 -4.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 5.2390 -4.6400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 5.5590 -5.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 5.3560 -6.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 6.4400 -7.6360 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3570 6.4910 -7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 6.1490 -9.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 7.1410 -9.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 3.1740 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 1.9280 0.1190 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4180 -0.0370 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 0.5850 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 1.5420 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 2.3010 -4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 3.0010 -5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 3.1670 -4.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 5.3600 -7.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 4.3570 -7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 4.1160 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 2.4050 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 1.3240 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 5.0630 -9.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7050 7.8160 -7.3600 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2800 8.0190 -8.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 7.8450 -6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 8.5340 -7.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 3.4250 -0.4840 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4690 3.2450 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 4.3300 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 2.7250 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 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 17 1 0 0 0 0 4 5 1 0 0 0 0 4 16 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 21 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 M CHG 1 7 1 M CHG 1 17 -1 M CHG 1 29 -1 M CHG 1 30 1 M CHG 1 34 1 M END