IBS-ZINC05245957 MOE2007 3D Structure written by MMmdl. 55 58 0 0 0 0 0 0 0 0999 V2000 4.9720 2.9380 6.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 2.7180 6.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 3.4680 6.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 3.2430 6.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 2.2590 5.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 1.4960 4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 1.7220 5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 2.0240 4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 2.0860 5.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 1.8130 4.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 1.5500 3.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.6970 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 1.5350 2.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 1.2340 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 1.0450 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 1.1910 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 1.0150 1.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 0.3600 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 1.3320 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 2.4630 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 1.4830 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7860 2.7670 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8170 2.1040 3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9090 2.3690 5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7800 1.1670 3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 1.0550 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 2.2990 7.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 2.7070 6.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 3.9830 7.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 4.2380 7.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 3.8570 6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.7110 4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 1.1110 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 2.3170 6.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 0.7610 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -0.5120 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -0.0350 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 2.2160 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4310 0.8190 4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 3.3690 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 2.7320 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 1.9960 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 0.6220 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 3.5940 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2790 3.1800 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2360 3.0600 5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6700 1.9020 5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2510 0.3050 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5380 0.7860 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3040 1.6810 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.2210 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 1.9670 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.8470 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 1.8280 2.4510 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1780 1.0080 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 54 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END