PUBCHEM-ZINC02929277 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.0840 1.2440 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -0.1240 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -0.6920 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 0.1190 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 1.4880 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 2.0620 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 3.5300 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 4.0280 1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 4.3170 0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 5.7000 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 6.4110 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 7.7910 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 8.4550 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 7.7370 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 6.3580 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 8.4360 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 7.8100 0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 8.5480 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 7.9690 0.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -2.0410 0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -2.6550 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -1.9040 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -2.5310 -2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -3.9050 -2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -4.6560 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -4.0340 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -4.5740 -4.0070 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1300 -3.9140 -4.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -5.7850 -4.1290 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7960 1.6840 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -0.7580 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -0.3260 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 2.1170 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 3.9250 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 5.8960 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 9.5220 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 5.8020 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.8300 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -1.9470 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -5.7290 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -4.6200 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 9.7670 0.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 9.8800 1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 10.3310 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 10.1800 0.6000 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 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 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 42 45 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END