NCID-ZINC04773563 MOE2007 3D Structure written by MMmdl. 88 90 0 0 1 0 0 0 0 0999 V2000 11.6160 7.3470 4.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5310 6.3780 3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6900 7.6800 3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2480 8.9110 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9120 6.3060 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8520 6.4190 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1480 5.4650 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 5.4850 -1.5840 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9460 6.5130 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 4.5500 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 5.0480 -0.9560 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 5.4970 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2090 6.3250 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9160 6.8050 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8990 6.4740 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 5.6560 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4660 5.1670 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7310 4.3120 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 3.8430 1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 4.0200 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 3.2290 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.9490 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6510 3.4620 3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 4.2590 2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 4.5250 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 5.3410 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 5.7630 0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 4.7700 2.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 4.5410 3.1500 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8560 3.5240 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 5.5540 4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 4.7000 2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 3.6430 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 3.9060 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 1.5220 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.1260 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 3.5290 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 2.8350 -3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9060 6.7930 5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1710 8.0260 5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 7.9500 3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9300 5.7110 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1280 5.7710 4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3540 7.9520 4.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4280 6.8750 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4880 9.6950 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0860 9.3160 3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6170 8.6880 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0580 5.2780 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8680 6.6880 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8150 7.4500 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8640 6.2030 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 4.4460 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1010 5.7470 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3120 4.8490 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4810 3.5140 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 4.5630 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 4.3280 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9760 6.6030 -3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 7.4430 -3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 6.8620 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9350 2.8260 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 2.3320 4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 3.2280 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 5.3840 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 6.5820 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 5.4140 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 5.4510 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 5.7030 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 4.6200 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 2.6550 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 3.6480 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 3.7540 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 4.9380 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 0.9910 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 1.2560 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 0.0460 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 1.6160 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 1.3550 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 3.4130 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 4.5970 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 3.3410 -4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 2.8560 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 1.7940 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4940 7.1430 2.9390 N 0 3 0 0 0 0 0 0 0 0 0 0 12.9750 7.9540 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 3.0090 -1.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4940 3.1390 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 2 85 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 85 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 5 85 1 0 0 0 0 6 7 1 0 0 0 0 6 51 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 58 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 59 1 0 0 0 0 14 15 2 0 0 0 0 14 60 1 0 0 0 0 15 16 1 0 0 0 0 15 61 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 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 62 1 0 0 0 0 22 23 1 0 0 0 0 22 63 1 0 0 0 0 23 24 2 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 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 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 34 87 1 0 0 0 0 35 36 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 87 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 38 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 37 87 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 85 86 1 0 0 0 0 87 88 1 0 0 0 0 M CHG 1 85 1 M CHG 1 87 1 M END