NCID-ZINC05437723 MOE2007 3D Structure written by MMmdl. 82 86 0 0 1 0 0 0 0 0999 V2000 12.0570 6.3340 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 6.8330 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 6.4350 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 6.9340 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 7.0160 -0.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9950 6.9600 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 8.4640 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 6.1290 0.2430 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0290 4.6700 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 3.8050 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 4.3220 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 3.4680 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 2.0930 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 1.5620 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 2.4240 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 1.9220 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 0.1100 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -0.3470 0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -0.7900 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -2.1620 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -3.0020 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -2.4880 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.1180 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.2590 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 1.1950 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 1.6520 0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -0.6180 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -1.5560 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 3.9860 0.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 5.7980 0.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3790 5.9490 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 6.5290 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 6.3280 1.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 7.4750 1.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5260 8.2050 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 8.0980 2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 9.2900 2.8300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1430 9.7030 3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 8.8140 2.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8770 9.6660 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 8.1640 1.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7670 8.9030 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 7.0830 1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 7.6330 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 7.8600 3.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 6.2790 1.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0170 5.2490 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9320 6.6180 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1220 6.7810 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7270 6.3870 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 7.9190 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 6.8820 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5240 5.3500 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2330 6.4880 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 8.0200 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 9.0950 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 8.8070 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 8.5200 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 4.5900 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 4.3240 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 1.6880 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -2.5740 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -4.0670 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -3.1530 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -2.2650 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -2.0940 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -1.0260 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 4.1550 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 6.2440 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 7.6060 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 7.3550 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 8.4370 3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 6.8220 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 8.4360 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 7.2620 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 7.5120 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 9.9800 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 5.7370 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 6.5470 0.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0900 5.5240 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 10.3380 1.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 11.1360 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 50 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 4 54 1 0 0 0 0 4 55 1 0 0 0 0 4 79 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 79 1 0 0 0 0 7 56 1 0 0 0 0 7 57 1 0 0 0 0 7 58 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 59 1 0 0 0 0 9 60 1 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 30 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 61 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 22 23 2 0 0 0 0 22 64 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 43 1 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 81 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 45 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 44 73 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 45 76 1 0 0 0 0 46 78 1 0 0 0 0 77 81 1 0 0 0 0 79 80 1 0 0 0 0 81 82 1 0 0 0 0 M END