PUBCHEM-ZINC04678524 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 0.2200 1.4530 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.0070 -0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.8330 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.1050 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.0600 -0.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.8110 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.3850 -2.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -1.3620 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -0.6440 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.4070 -5.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 0.2530 -6.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 0.6770 -7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 0.4360 -6.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -0.2190 -5.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -0.4700 -4.7400 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2020 -0.0960 -5.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -1.0500 -3.6700 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6860 1.2940 -8.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 1.6060 -8.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 0.6050 -7.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.4130 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.2700 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.8750 4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 0.3680 5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 1.2280 4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 0.8390 2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 2.4490 4.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 2.7820 5.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 1.7360 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 1.8510 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 1.8590 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -2.9980 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.5610 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.0540 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.9170 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -0.7370 -4.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 0.7630 -7.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 2.6040 -7.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 1.5240 -9.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -2.2420 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -1.5390 5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.6720 6.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.5050 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 3.7810 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 2.7590 6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 2.0610 6.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 21 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 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 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END