NCID-ZINC05437723 MOE2007 3D Structure written by MMmdl. 84 88 0 0 1 0 0 0 0 0999 V2000 11.6810 7.5870 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 7.4970 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2480 7.0120 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1030 6.9240 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 6.1240 -1.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8070 5.1560 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 7.2090 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 6.0480 -0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5890 4.7720 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 3.7370 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 4.1800 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 3.2340 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 1.8590 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 1.4310 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 2.3680 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 1.9700 0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -0.0040 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 -0.3400 0.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -0.9840 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -2.3450 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -3.2990 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.8950 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -1.5370 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.5670 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 0.8750 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 1.3280 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -1.2060 -0.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -1.2550 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 3.6800 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 5.6760 0.2000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9900 5.8660 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 6.2300 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 6.2880 1.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 7.5070 1.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6260 8.1830 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 8.1210 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 9.3850 3.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9270 9.6550 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 9.1140 2.9210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2580 10.0420 2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 8.4710 1.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5070 9.1460 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 7.2570 1.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 8.1040 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 8.2290 3.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 7.3230 3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 7.1730 0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8930 6.6090 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5880 7.9360 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4480 8.2880 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8090 6.8130 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3670 8.4830 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9760 7.6970 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4210 6.0280 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3200 6.1970 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8930 7.9070 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 7.2360 -2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 7.0170 -2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 8.2030 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 4.3430 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 5.0480 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 0.9790 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -2.6730 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -4.3560 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -3.6390 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -2.2880 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.6410 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -0.8570 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 2.8800 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 5.7110 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 7.2950 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 7.3830 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 8.3220 3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 7.3450 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 8.9830 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 7.6690 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 7.1700 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 6.4620 -0.3490 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1290 5.6480 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 7.1740 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 10.4930 2.4020 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2890 10.7030 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 11.3430 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 10.2260 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 51 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 53 1 0 0 0 0 3 54 1 0 0 0 0 4 55 1 0 0 0 0 4 56 1 0 0 0 0 4 78 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 78 1 0 0 0 0 7 57 1 0 0 0 0 7 58 1 0 0 0 0 7 59 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 60 1 0 0 0 0 9 61 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 62 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 63 1 0 0 0 0 21 22 1 0 0 0 0 21 64 1 0 0 0 0 22 23 2 0 0 0 0 22 65 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 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 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 70 1 0 0 0 0 32 71 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 72 1 0 0 0 0 36 73 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 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 45 46 1 0 0 0 0 47 77 1 0 0 0 0 78 79 1 0 0 0 0 78 80 1 0 0 0 0 81 82 1 0 0 0 0 81 83 1 0 0 0 0 81 84 1 0 0 0 0 M CHG 1 78 1 M CHG 1 81 1 M END