PUBCHEM-ZINC04670120 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 0 0 0 0 0 0999 V2000 -0.1500 2.5200 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 1.1120 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 0.3460 1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -0.9210 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.3740 -0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.7770 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -2.4200 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -2.8710 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -0.9450 2.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -1.6310 3.4100 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -0.5700 3.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -2.5040 4.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -2.6540 2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -2.0810 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 -2.8820 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -4.2590 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 -4.8320 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 -4.0290 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -6.3040 1.8080 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8670 -6.8080 2.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -7.0110 1.1520 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9150 -5.2660 0.0330 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 3.0120 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 3.0950 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 2.4560 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 0.6190 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 1.1760 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -2.9120 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -3.1560 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -1.6510 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -2.4460 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -3.6590 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -3.2880 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 0.0070 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 -1.0070 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 -2.4340 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -4.4760 3.1310 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 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END