PUBCHEM-ZINC03204395 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.7900 -0.8140 4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -0.9680 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -1.4810 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -1.5880 2.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -1.8310 0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -1.7360 -0.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2470 -2.3530 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -2.2360 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -3.2350 -1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -4.2570 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -4.7170 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -5.7760 -4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -6.3770 -4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -5.9380 -3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -4.8770 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -4.2420 -1.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -4.4830 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -3.2450 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -2.3370 -0.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4980 -2.9660 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 -1.2210 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -0.3130 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 0.7180 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7400 0.8670 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 -0.0270 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -1.0650 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 0.1300 0.6460 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8920 1.2110 0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 -0.8310 1.3200 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1350 -0.3150 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 0.6120 -0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.4540 4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -0.0970 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -1.7700 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 0.0100 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -1.6620 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -1.4160 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -2.6690 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -4.2540 -4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -6.1310 -5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -7.1970 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -6.4040 -3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -0.3820 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 1.4140 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 1.6780 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -1.7390 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -0.2570 -0.1990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 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 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 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 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 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 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 47 -1 M END