PUBCHEM-ZINC05333383 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 0 0 0 0 0 0999 V2000 0.9200 0.7300 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 0.0310 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -0.6270 0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -1.3180 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -1.3780 1.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -1.9610 2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.1510 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -2.7240 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -3.1090 4.7560 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -2.4870 3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -2.5220 4.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -3.0200 5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -3.5080 6.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -2.8960 5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -3.4360 7.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 -3.3160 7.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -3.8350 8.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 -4.2910 9.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 -2.9870 3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -2.5340 3.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -3.8170 4.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 -4.1250 5.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -5.0420 6.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -1.7710 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 0.0090 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 1.2490 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 1.4560 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 0.7660 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.7090 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -2.1350 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -1.8380 5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -3.4470 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -4.4870 7.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -2.8930 7.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -2.2630 7.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -3.8660 6.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -4.6290 4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -3.2020 5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 -5.3060 6.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -4.5590 7.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 -5.9600 6.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -0.6960 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -2.3070 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -2.0300 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 -3.7360 8.6450 O 0 5 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 45 -1 M END