PUBCHEM-ZINC04981355 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.0770 1.5320 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 0.0030 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.4980 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -0.5120 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -1.7380 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -2.4140 -0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -2.2680 -0.4690 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5720 -2.0070 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -1.6750 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -2.8700 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 -4.0650 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -3.7280 -0.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -4.6100 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -4.2150 1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -5.9300 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -6.8390 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -6.6060 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -7.5050 2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -8.6360 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -8.8720 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -7.9790 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -8.2350 -1.2650 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0220 -9.2810 -1.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -7.4000 -1.9890 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9440 1.9160 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 1.8890 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 1.8820 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -0.3470 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.1480 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -1.5880 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -0.1150 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 0.0280 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -0.8470 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -1.3550 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -2.9600 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -2.7780 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -4.9860 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -4.1630 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -6.2510 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -5.7220 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -7.3240 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -9.3380 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -9.7560 0.5590 H 0 0 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 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END