PUBCHEM-ZINC05311489 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 64 0 0 0 0 0 0 0 0999 V2000 0.3750 -0.3630 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -0.0500 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -2.3480 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -2.7040 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.5300 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 0.9570 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 1.1970 -3.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 1.7030 -2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 3.2290 -2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 3.8490 -2.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 3.8570 -2.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 3.1150 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 3.4840 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 3.2740 -3.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 5.3410 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 5.9280 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 5.9760 -3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 0.9430 -4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 0.3630 -5.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 1.3780 -5.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 2.7420 -6.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 3.1520 -7.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 2.1870 -7.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 0.8180 -7.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 0.4130 -6.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 2.6150 -8.9390 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3600 3.8320 -9.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 1.7330 -9.5860 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6380 -0.1290 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -1.4120 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.2420 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 1.0100 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.2620 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -2.7760 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -2.7270 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -3.7860 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 -2.2190 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -2.4220 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -0.8620 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -1.1460 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 1.5560 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.3200 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 1.4200 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 1.2220 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 2.0490 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 4.5080 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 2.8170 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 3.3840 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 2.9700 -4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7400 2.6510 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 4.3100 -4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 5.6300 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 7.0050 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 5.4640 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 5.7860 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 5.5390 -4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 7.0530 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 5.8430 -4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 3.4850 -5.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 4.2160 -7.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 0.0610 -8.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.6460 -6.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.8430 -1.2250 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9790 -0.5440 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 63 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 63 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 63 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 43 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 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 63 1 M END