NCID-ZINC05439111 MOE2007 3D Structure written by MMmdl. 77 81 0 0 1 0 0 0 0 0999 V2000 9.4850 10.3330 2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 9.0580 1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9090 8.2730 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4020 8.5970 0.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2480 8.3530 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0270 7.3770 -0.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9510 6.4760 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7330 7.6270 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 8.1380 -0.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3810 7.3730 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 9.3210 0.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 8.4300 -1.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 8.7300 -0.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6170 8.9870 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 9.9700 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 10.4370 -0.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8580 9.4270 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 8.0110 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 7.6160 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 6.2740 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 5.3550 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 5.7700 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 7.0930 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 7.5220 0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 4.8220 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 5.2290 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 3.4300 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 2.5600 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.2340 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 0.7750 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6370 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 2.9820 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 3.9480 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 3.6570 -1.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 1.2340 -1.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -0.1050 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 5.8450 -0.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 11.8160 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 11.9520 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 13.0210 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 10.6020 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0950 6.1770 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3450 6.3160 -3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 4.7770 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8570 9.6160 -0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1170 10.2430 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6810 11.1820 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6110 10.6090 2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3400 10.2050 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 6.7150 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9020 8.3680 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 9.7470 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 10.7720 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 9.6450 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 9.4830 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 6.7510 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 2.9090 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 0.5540 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -0.2700 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -0.2260 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -0.8180 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -0.3100 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 4.8880 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 13.2380 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 13.8880 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 12.8450 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 10.6430 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2150 6.4230 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2560 6.1130 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3140 5.6140 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 7.3270 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0550 4.6550 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9760 4.0250 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8220 4.5510 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1920 7.1860 -1.3960 N 0 3 0 0 0 0 0 0 0 0 0 0 11.3630 8.1380 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0430 6.9980 -0.8450 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 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 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 75 1 0 0 0 0 8 9 1 0 0 0 0 8 50 1 0 0 0 0 8 51 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 52 1 0 0 0 0 15 53 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 54 1 0 0 0 0 17 55 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 56 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 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 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 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 68 1 0 0 0 0 42 75 1 0 0 0 0 43 69 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 44 72 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 75 76 1 0 0 0 0 75 77 1 0 0 0 0 M CHG 1 75 1 M END