PUBCHEM-ZINC05393327 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.2090 1.3460 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1640 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -0.4590 -1.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -0.5020 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -1.9250 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.7000 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -0.9800 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -1.2180 -4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -1.1780 -4.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -0.8980 -3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -0.6650 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -1.4200 -5.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -2.2910 -6.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -2.9370 -6.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -2.4620 -8.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -3.4860 -8.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -4.8220 -8.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -5.7620 -9.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -5.3660 -10.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -4.0290 -10.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -3.0890 -9.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -6.3720 -11.3010 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0250 -7.5490 -11.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -6.0220 -12.0660 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7590 1.8480 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 1.7010 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 1.5660 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.5190 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -0.6660 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -0.2030 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 0.1810 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -2.6080 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -1.9570 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -2.2240 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -1.0110 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -1.4360 -5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -0.8670 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -0.4520 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -0.9600 -6.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -2.7980 -7.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -1.5100 -8.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -5.1320 -8.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -6.8060 -9.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -3.7190 -11.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -2.0450 -9.8870 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 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 40 1 0 0 0 0 15 41 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 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