PUBCHEM-ZINC06190719 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 0.0250 1.2150 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -0.2600 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.8690 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -0.4790 1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4700 -0.0110 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 0.0920 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -0.6090 0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 1.4260 1.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 2.1980 1.6580 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5970 1.4990 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 2.9420 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 3.7660 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 1.9830 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 3.2620 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 3.8590 2.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -1.9080 1.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.6260 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -2.1270 2.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -4.1010 2.2670 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4540 -4.1430 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -4.8690 0.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5430 -4.6840 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -6.3550 1.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6060 -6.5840 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -6.8280 2.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4590 -6.6630 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -6.0610 3.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6760 -6.2120 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -4.6670 3.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -6.7300 4.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -8.1110 3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -8.1750 2.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -8.9050 4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -8.6720 3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -6.8370 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -5.7950 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -4.6110 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -6.2620 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -5.4660 -2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 1.7910 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.3180 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 1.6690 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -0.7740 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -0.3920 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -1.9420 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -0.7460 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 1.9740 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 3.6340 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 3.1390 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 4.2290 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 4.5800 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 1.4860 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 2.5240 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 1.2160 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -2.3610 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -8.8560 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -9.9530 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -8.4990 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -8.0870 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -9.7060 3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -8.6300 4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -7.1780 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -5.4880 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -6.4830 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -5.1410 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -4.6500 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -6.3420 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 3.3900 3.5890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 2 0 0 0 0 14 68 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 M CHG 1 68 -1 M END