PUBCHEM-ZINC04654833 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 30 0 0 1 0 0 0 0 0999 V2000 1.2610 1.7340 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 0.7760 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 1.0780 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.4490 -0.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -1.5770 -0.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1180 -1.6080 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -1.3690 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -2.3420 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -2.0550 -3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -2.9350 -3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -3.8320 -3.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 -2.5650 -4.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5200 -3.2810 -5.3460 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 -4.7200 -5.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -2.9120 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -2.8230 -1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 1.5910 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 2.7610 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 1.5710 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.6490 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.3450 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -1.4590 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -3.3780 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -2.2490 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -1.0120 -3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -2.2140 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -2.9100 -4.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0290 -2.3830 -6.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -3.8970 -0.5040 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.5600 -2.9050 -7.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7570 -1.9490 -4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 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 13 14 2 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 29 -1 M END