PUBCHEM-ZINC04306196 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 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 0.7420 -0.5130 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -2.0420 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.5010 1.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -2.0650 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.5350 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -3.8750 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.5700 1.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -5.8930 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -6.5440 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -5.7810 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -4.4610 1.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -6.3870 1.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -5.5740 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -6.4810 1.5960 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6690 -7.2710 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0270 -5.6550 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0470 -6.3060 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -7.4470 3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 -7.0490 2.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -8.0140 1.8700 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0160 -8.5060 2.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -8.7330 0.8860 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5200 -6.6120 1.7740 N 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 0.5100 -0.3560 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -0.1730 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.1270 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.4280 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.4070 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -2.4500 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -2.4460 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -0.1500 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -0.2120 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -7.3490 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -4.8520 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -5.0440 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -4.6120 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -5.7340 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3840 -5.5840 3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8940 -6.7060 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5410 -7.5430 4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -8.3870 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -6.1520 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -7.5760 1.8780 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 7 1 0 0 0 0 2 29 1 0 0 0 0 3 4 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 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END