PUBCHEM-ZINC05489720 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 1.1170 -0.3060 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -1.7180 1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -2.1350 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -1.3410 1.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.4330 0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -3.8610 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -3.0620 0.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -2.1080 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -3.8700 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4960 -3.6390 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3710 -4.7020 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -5.9940 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -6.2240 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -5.1690 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -5.0950 0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -4.4650 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2590 -3.3350 0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7550 -5.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4530 -6.1040 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3220 -7.1660 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5040 -7.7380 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8210 -7.2540 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9460 -6.1800 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2170 -5.6540 -2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5330 -4.6560 -2.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.1040 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 0.2840 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.0370 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -4.0670 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -2.6440 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -6.8110 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -7.2220 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3150 -5.6630 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8610 -7.5530 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1850 -8.5690 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9680 -7.7060 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3120 -6.2820 -3.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8170 -5.9010 -4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 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 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 37 38 1 0 0 0 0 M END