PUBCHEM-ZINC05824880 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -4.1230 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -4.6300 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -5.9940 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -6.9630 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -6.8160 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -8.1720 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 -7.9090 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -6.5590 0.0260 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.8990 -5.8500 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 -5.5990 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1870 -6.4340 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8670 -4.3870 -2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -9.0410 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5910 -8.8600 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8770 -10.2920 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 -11.0530 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 -10.4950 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -11.6370 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -9.4800 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -9.7680 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.2420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -2.2320 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -4.4740 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -4.4840 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -4.0100 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6400 -6.4570 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7780 -4.8990 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5400 -7.3020 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5170 -6.2530 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -4.6380 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6280 -4.0650 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6650 -3.5810 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -9.8440 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -10.7100 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -8.9640 -0.5430 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 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M CHG 1 13 1 M END