RDKit 3D 127127 0 0 0 0 0 0 0 0999 V2000 -13.1943 2.3341 2.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9980 1.0391 2.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3580 1.1943 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6209 2.2008 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1239 1.9092 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9098 0.6150 -0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2732 -0.4163 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6435 -0.4378 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1742 -0.6823 1.0454 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6170 -1.9043 0.5342 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2013 -0.5182 0.0247 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2606 -0.6671 -1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5385 -2.0176 -1.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7291 -2.6292 -2.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5039 -2.1835 -3.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2291 -2.8468 -3.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 -3.8788 -2.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7304 -4.6926 -1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -4.7939 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 -3.5675 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2386 -2.5378 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3205 -2.7063 -0.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2569 -1.2596 0.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 -0.3050 0.4441 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5335 0.2340 1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 1.1493 1.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 0.7418 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6211 -0.4946 0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 1.5815 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 2.2399 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 1.3394 2.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 0.2685 1.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.5404 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 1.1711 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 1.2546 -0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 2.0925 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9544 2.1547 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 0.7962 -0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9593 0.6727 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9140 1.4802 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9258 1.1716 1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1756 -0.1309 1.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4024 -0.9090 1.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9766 -1.4600 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4147 -0.5860 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 -2.5854 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 0.8686 -0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9241 1.7703 -0.6201 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 3.1063 -1.4325 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7500 3.4931 -2.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 2.7385 -1.8502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 4.4706 -0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7190 2.1747 3.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6322 3.1239 2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2732 2.5093 2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7394 0.2856 2.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0244 0.6286 2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1980 0.1993 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4690 1.3864 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0202 2.1652 -1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7520 3.2464 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7351 2.0690 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6326 2.7333 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3357 0.4982 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2295 -1.3457 -0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8742 0.5275 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2041 -1.1936 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7866 -0.5722 2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1369 -0.3415 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3055 -0.3005 -1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0715 0.0454 -1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4593 -2.5535 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1463 -3.6471 -3.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3548 -1.0703 -3.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7212 -2.1219 -4.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3673 -2.3734 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 -4.2155 -2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6809 -5.7582 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8069 -4.4976 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -5.2489 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9299 -5.5652 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1325 -3.7833 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2318 -3.0447 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 -0.7523 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 0.8542 2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1222 -0.5556 2.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 1.0771 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 2.4246 -0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 2.8202 1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 3.0495 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6526 2.0179 2.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 0.9549 2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4488 -0.5838 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2768 -0.2582 2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7788 -0.4453 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8887 1.1000 1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8249 2.1824 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 0.5593 -1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5787 1.7707 -1.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 0.2027 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1395 3.1433 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 1.7866 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9377 2.5846 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4997 2.8369 0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8710 0.1034 -1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5112 0.3682 0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2706 -0.3668 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9967 1.1563 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8526 1.6752 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4257 2.5509 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7515 1.8696 1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0155 1.6833 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9951 0.0015 2.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2678 -0.8417 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2379 -0.2409 2.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4113 -1.7367 2.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9170 -2.0432 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6567 -0.4299 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3521 -0.9747 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6927 0.4071 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0527 -2.3388 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2876 -3.5434 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4743 -2.7261 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3655 0.4989 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 1.3372 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6871 3.5416 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 4.7424 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 11 9 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 1 11 69 1 6 12 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 6 25 85 1 0 25 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 51126 1 0 52127 1 0 M END