NCID-ZINC05371239 MOE2007 3D Structure written by MMmdl. 82 87 0 0 1 0 0 0 0 0999 V2000 9.3580 9.0020 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 7.8010 1.6540 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7870 6.9540 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 7.4510 0.6210 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2520 8.3270 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5150 6.2940 -0.2410 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3830 5.4250 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1860 6.6440 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 7.0560 0.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9890 6.2040 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 8.1340 0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 7.4680 -0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 7.7360 0.4860 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3000 7.7000 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 9.1740 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 9.6330 0.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6060 8.4980 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 7.2200 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 6.7760 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 5.5200 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 4.7520 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 5.2260 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 6.4520 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 6.9330 1.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 4.4360 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 4.8990 0.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 3.1320 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 2.4070 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 1.1660 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.6490 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 1.3670 -1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 2.6260 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 3.4420 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 3.1000 -1.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 0.9020 -2.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.3320 -2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 5.0250 -0.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 10.8320 1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 10.7680 3.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 12.1570 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 13.0680 2.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 10.1080 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8440 6.7900 -2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1130 6.3600 -3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0380 4.9050 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7100 3.9850 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4490 4.4250 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2860 7.0220 1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6540 7.7590 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 9.8820 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 9.2690 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 8.8000 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 5.8050 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 7.4800 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 9.8450 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 9.2470 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 8.7680 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 8.2910 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 6.2750 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 2.8010 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.5970 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.3260 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -0.5150 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -1.1620 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -0.2860 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 4.1610 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 12.0230 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 12.5830 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 12.8220 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 10.0640 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 6.7350 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9540 7.8070 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 6.4960 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2730 7.0050 -3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9910 4.6070 -4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 4.8000 -4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5540 3.9720 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5840 2.9590 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 3.8120 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 4.3640 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 5.8650 -1.2290 N 0 3 0 0 0 0 0 0 0 0 0 0 11.4500 5.9060 -0.6370 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 81 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 42 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 41 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 69 1 0 0 0 0 42 70 1 0 0 0 0 43 44 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 43 81 1 0 0 0 0 44 45 1 0 0 0 0 44 73 1 0 0 0 0 44 74 1 0 0 0 0 45 46 1 0 0 0 0 45 75 1 0 0 0 0 45 76 1 0 0 0 0 46 47 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 47 79 1 0 0 0 0 47 80 1 0 0 0 0 47 81 1 0 0 0 0 48 49 1 0 0 0 0 81 82 1 0 0 0 0 M CHG 1 81 1 M END