PUBCHEM-ZINC03050947 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 1.0140 1.2260 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.1150 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.8480 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -2.0910 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -2.6270 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -1.9120 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6620 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 0.1830 -2.7470 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -0.2600 2.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -0.8510 3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -2.4300 3.8750 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.0000 4.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.5790 6.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -0.5480 6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -1.6900 8.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -1.1830 9.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 1.4880 4.7440 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1740 1.8280 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 2.1510 4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 1.9290 3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 1.9800 4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 2.4830 3.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 2.7070 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 2.3710 2.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 1.3090 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 1.3840 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 2.0290 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -2.6440 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -3.5900 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -2.3270 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 0.7520 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -0.0220 6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.6030 6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -0.8340 6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 0.4500 7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -0.7270 9.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -2.0280 7.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -2.4490 9.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -1.2120 8.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.1880 9.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -1.9370 9.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 1.8880 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 3.2420 4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 1.8480 5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 1.6870 5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 2.6610 2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 3.0800 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.5250 8.1260 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9370 -2.4500 7.7430 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 9 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 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 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 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 48 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 48 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 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 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END