PUBCHEM-ZINC03870438 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 81 0 0 1 0 0 0 0 0999 V2000 2.2840 1.6450 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 1.4400 -2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 2.0980 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 1.9450 -3.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 2.8630 -1.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 3.2860 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 3.0740 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 2.5290 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.7580 -0.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8430 1.7920 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 3.7640 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 3.6490 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 3.8930 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 3.2250 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 3.6610 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 3.6430 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 4.0780 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 4.0600 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 4.4950 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7440 4.4760 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8160 4.9100 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2090 4.8910 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2710 5.3230 -2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8050 5.5850 -2.8860 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.6880 4.9600 -3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7290 7.0750 -3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0740 7.6170 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1260 7.4680 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1410 6.0760 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1140 5.2090 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2940 3.8430 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4090 3.4660 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5010 4.4400 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5240 4.1290 -0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.2910 5.6910 -1.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.0550 6.3490 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 1.1060 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 0.7810 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 4.7940 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 3.5970 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 4.3760 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 2.6530 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 3.6470 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 4.9550 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 3.9030 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 2.1970 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 4.6710 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 2.9950 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 2.6320 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 4.3100 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 5.0890 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 3.4110 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 3.0490 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 4.7270 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1260 5.5050 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 3.8270 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9680 3.4660 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7610 5.1450 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5910 5.9200 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7980 4.2420 -3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4320 3.8820 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2270 5.5600 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0940 6.3450 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3150 4.6390 -3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3850 7.6840 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9930 7.2070 -4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9770 8.6740 -4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3940 7.0800 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9290 8.1820 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1060 7.7180 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5280 3.0990 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5740 2.4570 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 3.2660 -0.8740 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1870 4.2250 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 2.7160 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6090 5.2900 -2.0010 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.7290 4.3600 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6190 5.9410 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 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 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 73 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 76 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 24 76 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 2 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 71 1 0 0 0 0 32 33 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 M CHG 1 73 1 M CHG 1 76 1 M END