PUBCHEM-ZINC05840679 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.3690 1.6930 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 0.1740 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -0.4580 1.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -2.0550 1.6680 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.7930 -2.7360 1.3310 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -2.3950 3.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -2.1620 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -3.1660 4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -2.9270 5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.6870 5.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -0.6840 5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -0.9210 4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -1.4330 6.9510 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4950 -2.3160 7.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -0.3420 7.4840 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9650 -2.7220 0.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -4.0750 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -4.6510 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -6.0260 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -6.8300 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -6.2580 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -4.8820 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -4.1650 2.1150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -8.5580 0.2710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 2.0080 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 2.1760 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 1.9780 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -0.1410 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -0.1110 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -4.1350 3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -3.7090 5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 0.2830 6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -0.1380 4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -4.0250 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -6.4750 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 -6.8870 1.6180 H 0 0 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 1 0 0 0 0 2 28 1 0 0 0 0 2 29 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 4 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END