PUBCHEM-ZINC05138810 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.1830 1.5120 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 0.0350 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -0.5300 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -1.9570 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -3.1250 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -4.5530 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -5.0320 -0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -6.4500 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -6.9300 -0.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8070 -6.4380 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 -8.4460 -0.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8200 -8.9240 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 -8.7710 -0.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9450 -9.6510 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -7.5200 -1.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2200 -6.9710 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -6.6020 -1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 -7.8380 -2.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 -8.2110 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4910 -8.4590 -4.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8220 -8.2210 -4.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 -7.8250 -3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1490 -7.5060 -2.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1860 -7.6260 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1720 -8.0020 -4.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9770 -8.3080 -5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9440 -8.6940 -6.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -8.8370 0.6870 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1560 -8.9130 1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -9.0600 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.8940 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 2.0970 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 1.6750 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.0980 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -0.5170 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.3950 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 0.0230 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -4.7120 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -5.1110 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -6.6810 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -6.9370 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -8.2870 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1610 -7.3890 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0560 -8.9210 -7.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8140 -8.7390 -7.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 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 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 28 -1 M END