NCID-ZINC05664799 MOE2007 3D Structure written by MMmdl. 82 87 0 0 1 0 0 0 0 0999 V2000 -4.7660 4.5530 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 5.2190 1.1480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8560 4.9320 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 6.7490 1.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1170 7.0250 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 7.3320 0.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5290 7.1800 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 6.6970 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 5.1860 -0.0970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8200 4.9470 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 4.7070 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 4.6190 -1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 3.2690 -0.9920 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0620 2.7260 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 3.2590 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 1.8180 0.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9180 0.7690 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 1.3230 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 2.5540 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 3.0740 -3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 2.3820 -4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 1.1540 -4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 0.6270 -3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -0.5850 -3.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.3700 -5.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -0.6910 -5.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 0.8470 -7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 0.0290 -8.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 0.4210 -9.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 1.6270 -9.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 2.4550 -8.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 2.0670 -7.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 2.9270 -6.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 4.1010 -6.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 3.5970 -8.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 4.6230 -9.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 4.2790 -3.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 1.7140 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 2.4480 -0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 0.6450 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.5760 1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 9.6490 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 9.4630 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 10.4430 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 11.7760 1.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 11.9960 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 11.1120 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 7.3560 2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 7.0620 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 4.8000 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 3.4620 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 4.8510 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 7.0590 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 6.9420 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 3.8470 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 3.7950 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -0.1750 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 0.4560 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.9290 -4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -0.9240 -8.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -0.2190 -10.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.9190 -10.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 4.7600 -8.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 4.4080 -10.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 5.5600 -9.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 4.6530 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -0.3310 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 0.6050 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 0.8810 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 0.6210 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 9.3180 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 9.6500 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 8.4440 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 10.2230 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 10.3790 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 11.8080 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 13.0510 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 11.2590 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 11.4060 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 8.8240 0.7130 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8340 9.0230 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 9.1330 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 48 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 80 1 0 0 0 0 8 9 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 42 43 1 0 0 0 0 42 47 1 0 0 0 0 42 71 1 0 0 0 0 42 80 1 0 0 0 0 43 44 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 45 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 47 78 1 0 0 0 0 47 79 1 0 0 0 0 48 49 1 0 0 0 0 80 81 1 0 0 0 0 80 82 1 0 0 0 0 M CHG 1 80 1 M END