NCID-ZINC05386554 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.5470 0.4810 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.8780 -0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -1.5450 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -1.0340 1.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -2.8340 0.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -3.6220 2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -4.2930 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -5.0150 3.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -6.2510 3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -6.8600 2.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -6.7390 5.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0560 -6.2200 5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -6.4950 6.3270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6090 -6.3670 7.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -7.7880 6.2630 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2420 -7.9830 7.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -8.8150 6.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3060 -9.1210 7.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -8.1470 5.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -10.0330 5.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -10.1860 3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -11.4320 3.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -12.0960 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -11.2600 5.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -11.5700 7.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -12.8250 7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -13.7770 6.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -14.7370 6.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -13.4900 5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -14.3490 4.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -7.6520 5.2480 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8110 -5.3600 6.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -5.8380 5.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -1.4230 -1.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.8820 -2.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.5040 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 1.1570 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 0.8410 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -3.2580 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -2.9710 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -4.3730 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -4.9910 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -3.5500 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.6270 4.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -9.3520 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -13.2350 8.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 32 33 1 0 0 0 0 34 35 2 0 0 0 0 M CHG 1 31 -1 M END