PUBCHEM-ZINC05162503 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.1880 1.0500 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.3200 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -0.7920 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 0.0990 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 1.4720 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 1.9440 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -0.4930 0.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 0.3720 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8790 -0.5250 -0.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6270 -1.2830 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 0.2720 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 -0.0100 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 -1.0950 -0.6640 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5160 -1.8320 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1020 -0.4860 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1540 -1.5960 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0010 -2.5180 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0680 -3.3510 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9460 -4.2090 -3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7560 -4.2480 -3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6860 -3.4300 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 -2.5590 -2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7010 -1.7790 -1.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 -1.2430 0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -1.6160 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 1.4200 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -1.0210 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -1.8630 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.2040 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 3.0140 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 0.9550 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 1.0320 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 0.6180 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 1.1110 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 0.5890 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 0.6430 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3340 0.2350 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 0.0570 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1510 -1.1400 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0580 -2.1900 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 -3.3290 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7770 -4.8490 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6570 -4.9190 -4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 -3.4860 -3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9390 -1.7090 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 -0.6570 -0.6000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0990 -1.1440 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2230 -1.4060 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END