PUBCHEM-ZINC01117024 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.1360 1.5380 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 0.0090 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.5240 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -2.0560 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.4960 0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -1.9720 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.4410 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -3.5630 0.2250 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -3.3640 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -3.4470 1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -5.1850 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -5.7810 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -7.0520 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -7.7320 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -7.1310 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -5.8620 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -9.0190 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -9.9330 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -9.6170 1.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -11.3190 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -11.5620 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -12.8570 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -13.9160 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -13.6810 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -12.3890 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -12.1390 0.9080 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1470 -13.0740 1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -10.9980 0.8690 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5150 -15.5440 0.5690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 1.9260 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.9180 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 1.8590 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -0.3780 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -0.1570 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.1840 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -2.4390 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.4260 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.3000 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.3360 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.0410 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -0.0750 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -5.2510 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -7.5160 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -7.6580 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -5.3960 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -9.2540 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -10.7380 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -13.0470 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -14.5100 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 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 16 2 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END