PUBCHEM-ZINC06513849 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.8090 -0.0020 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0050 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 0.6930 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 1.4000 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4080 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 0.6990 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 2.1580 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 1.4740 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 1.5370 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 0.2820 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 0.1790 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 1.3240 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1790 2.5540 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 2.6840 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 4.3090 0.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 4.3640 0.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5680 3.9230 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 3.6360 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 5.8060 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 6.3290 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 7.6510 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 8.4500 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 7.9280 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 6.6060 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 9.8660 1.1600 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6480 10.3260 2.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 10.5700 0.1680 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0400 2.2750 -2.5700 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -0.5460 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 0.6850 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 0.7010 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 -0.6180 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 -0.7930 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8360 1.2510 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 3.4430 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 3.9210 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 3.9320 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 5.7040 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 8.0600 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 8.5520 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 6.1990 -1.2740 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END