PUBCHEM-ZINC04910553 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.6750 -7.0570 -5.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -6.3410 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -6.7900 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -6.1400 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -5.0250 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -4.5770 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -5.2340 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -4.7560 -4.3960 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4900 -3.5630 -4.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -5.5570 -5.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0030 -4.3230 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -3.1080 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -5.0300 1.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -4.3360 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -4.1280 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -4.5600 4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -6.4930 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -7.0630 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -6.3200 1.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -8.3980 1.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -8.9240 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -8.2210 1.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -8.8850 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -10.2130 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -10.5910 1.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -11.2140 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -7.8360 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -6.3450 -5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -7.5060 -5.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -7.6530 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -6.4920 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -3.7150 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -4.9370 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -3.3700 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -3.6220 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -5.0660 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -4.4100 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -6.8510 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -6.8120 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -8.9920 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 -8.3940 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 -11.4780 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -12.1090 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 -10.7790 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 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 40 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END