PUBCHEM-ZINC00627275 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 0 0 0 0 0 0999 V2000 0.4810 1.6000 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.1030 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -0.5270 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.1610 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -0.8900 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -1.1420 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -0.6830 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 0.0470 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 0.3070 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 -0.9360 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 -1.1260 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 -2.4290 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 -2.5340 -0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9880 -2.3270 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -1.0030 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1770 -2.8650 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9990 -2.3730 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3620 -2.7100 -1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9470 -3.5590 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1480 -4.0600 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7910 -3.7160 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3020 -3.9540 -0.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2840 -3.5960 -1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1440 -2.8610 -2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6130 -4.2480 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7400 -3.9050 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0720 -4.5650 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0720 -5.2960 -0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 1.7680 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 2.0490 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 2.1410 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -0.3660 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -0.0740 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -1.6010 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -0.4000 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -1.2790 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -1.7420 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 0.4600 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 0.8860 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -1.1810 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9970 -0.2670 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -3.2950 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 -2.4370 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 -3.1600 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5470 -2.3440 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -0.1660 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -0.8840 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6020 -1.6810 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9340 -2.2830 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5610 -4.7320 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 -4.1600 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5900 -4.5740 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4580 -5.3340 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8800 -3.9310 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8910 -2.8180 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4680 -4.2150 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0210 -4.2930 -2.5910 O 0 5 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 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 M CHG 1 57 -1 M END