PUBCHEM-ZINC06176212 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.4630 1.6720 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.2280 -0.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0980 0.2050 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -1.5200 -1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.1390 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -3.3300 -3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -3.9140 -4.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -5.0480 -5.6020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1600 -4.7940 -5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -5.3820 -6.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -6.3950 -6.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -4.4740 -7.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -4.4540 -9.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -5.2930 -9.5880 N 0 5 0 0 0 0 0 0 0 0 0 0 1.3670 -3.7460 -11.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -3.4930 -9.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 1.7410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 2.2730 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 2.1320 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -1.1670 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -2.2850 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -1.3810 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -2.4700 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -4.0920 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -3.0050 -4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -3.1020 -5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -4.2640 -4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -3.7050 -7.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.5100 0.9560 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1510 -1.4980 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.1410 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -0.4630 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.4010 -1.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 0.2840 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -4.8300 -10.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -6.2760 -4.7370 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7930 -6.9690 -5.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -6.1110 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -6.7340 -4.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 33 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 35 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 29 1 M CHG 1 36 1 M END