PUBCHEM-ZINC02864302 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0290 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1840 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 2.5030 -1.7340 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 3.4250 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 3.7750 -2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5390 4.5190 -2.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5590 4.7080 -4.0520 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 5.4940 -3.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7180 3.4200 -4.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 5.6880 -5.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8240 7.0650 -5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 7.8330 -6.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 7.2240 -7.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 5.8460 -7.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 5.0780 -6.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 8.0460 -8.1240 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7660 9.2600 -8.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 7.5090 -8.9760 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9120 -0.8180 -0.0380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 3.1320 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 1.6030 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 4.3420 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 2.8130 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 2.8580 -3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 4.3860 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 4.9020 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 7.5410 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 8.9090 -6.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 5.3700 -7.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 4.0020 -6.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END