PUBCHEM-ZINC00076188 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 1.3190 0.3420 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -0.9100 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -1.6220 -0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -1.2350 0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -2.2580 -0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.6290 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -3.9440 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -4.1380 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -5.3650 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -6.4020 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -6.2160 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -4.9910 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -7.3310 -1.2240 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4880 -8.4110 -1.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -7.1680 -0.8880 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0620 -1.7960 0.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -0.3370 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 0.2220 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -0.2440 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -1.7730 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -2.3540 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 0.4390 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 1.2090 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 0.2820 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 -3.3290 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -5.5160 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 -7.3610 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -4.8460 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 0.0950 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -0.0910 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 1.3110 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -0.1400 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 0.0960 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 0.1720 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -2.1030 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 -2.1160 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -3.4390 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -2.0900 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END