PUBCHEM-ZINC05282770 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 0 0 0 0 0 0999 V2000 -0.4650 0.5380 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.8860 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -1.0450 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -0.0190 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 1.4020 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 1.5580 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -0.2790 2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 0.5370 3.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -0.3300 0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 0.3650 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 1.3540 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -0.2150 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 0.2870 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 -0.2940 -2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 0.1190 -3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8810 -0.4250 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 -0.8530 -5.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 -0.3350 -4.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1280 -0.8150 -5.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 -0.5750 -5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9820 0.9110 -5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6270 1.6390 -6.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1670 1.4250 -6.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8290 -0.0640 -6.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -2.3870 -5.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1220 -2.8260 -6.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 0.6300 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 0.7560 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -1.5790 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -1.1680 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.9390 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.0720 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 1.6450 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 2.1570 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 1.4450 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 2.5700 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -1.1310 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -1.3090 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 0.0570 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 1.3830 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 0.0130 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 -1.3890 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 0.0430 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 1.2110 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8780 -0.2410 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7160 0.0410 -3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 -1.0250 -4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2730 -1.0680 -5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4690 1.3910 -4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0560 1.0100 -4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8270 2.7100 -6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2730 1.2780 -7.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 1.9200 -6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9740 1.8980 -7.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4140 -0.4940 -7.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7800 -0.1780 -7.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -1.3140 2.8180 O 0 5 0 0 0 0 0 0 0 0 0 0 11.0420 -3.0430 -4.5880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 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 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 57 1 0 0 0 0 9 10 1 0 0 0 0 9 37 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 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 58 1 0 0 0 0 M CHG 1 57 -1 M CHG 1 58 -1 M END