RDKit 3D 142142 0 0 0 0 0 0 0 0999 V2000 -16.8747 -0.8905 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6806 -1.3886 -1.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8951 -2.4163 -0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3806 -1.8437 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4784 -0.6736 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2037 -0.9306 -0.5438 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.2885 -1.3963 -1.8305 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9163 -0.0026 -1.6163 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5900 0.3874 -2.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7666 -0.7255 -2.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5981 -0.9713 -1.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2037 -0.1431 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 0.6600 -0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8199 1.5893 -1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7453 1.2152 -3.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6197 0.5469 -4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 -0.7769 -3.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6505 -1.2319 -2.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 -0.3303 -1.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 0.8187 -2.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0198 -0.6751 -0.6882 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1318 0.3630 -0.1049 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7468 -0.1769 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2555 0.6426 0.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8245 1.2535 1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 1.0702 2.3433 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 2.1919 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 2.2237 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 0.9278 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 0.4634 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 1.4604 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5947 1.0717 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 0.9421 1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8066 0.5762 2.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9588 1.4837 2.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5962 1.9134 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1343 0.8618 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2149 0.0398 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7163 -0.9964 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8086 -1.8667 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0382 -1.0905 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6422 -0.3342 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8541 0.4391 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9925 -0.3637 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4770 -1.3686 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1062 0.6411 0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8011 0.5898 1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 1.5451 2.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4213 1.5607 3.4372 P 0 0 1 0 0 5 0 0 0 0 0 0 -2.5790 2.0013 4.6034 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6865 2.6374 3.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9655 -0.0091 3.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -0.1777 3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6479 -1.6451 3.8964 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0361 -1.8391 3.7417 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 -2.5721 2.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -2.3563 1.6459 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5052 0.0430 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6935 -0.5736 -1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1385 -1.6751 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1227 -1.9397 -2.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0908 -0.5672 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6355 -3.2092 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1339 -2.8912 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2019 -1.6258 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7796 -2.6719 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1586 -0.3899 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0091 0.2473 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3225 -1.3489 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7634 0.6694 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0867 1.1782 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7843 0.9891 -3.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0484 -1.3614 -3.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9907 -1.7918 -2.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9163 -0.9252 0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0031 0.4034 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0388 1.4169 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0474 0.1306 -0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8754 2.2680 -1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6257 2.4197 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6773 0.6083 -3.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9977 2.1972 -3.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9254 0.6339 -5.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7525 1.3451 -4.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 -0.8022 -4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7536 -1.5738 -4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -2.1897 -2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4551 -1.5967 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 1.2474 -0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7018 -1.1230 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -0.6411 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 3.1888 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7838 1.9160 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 2.4905 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 3.0409 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 1.0800 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 0.1031 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4684 -0.4919 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 0.2648 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4079 1.6203 -1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 2.4486 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3732 1.6961 -0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8408 0.0241 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7621 0.2208 1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 1.9476 1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 -0.4825 1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5114 0.4444 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6161 2.4450 2.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7612 1.1295 2.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5828 2.4474 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1471 2.7344 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3385 0.2591 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 1.4014 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0272 0.7481 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8470 -0.4352 1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8597 -1.6680 -0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9756 -0.5217 -1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4295 -2.3544 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0410 -2.6339 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8259 -0.4536 1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7944 -1.8403 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9411 -1.0588 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9098 0.3543 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2454 0.9410 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5823 1.2914 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7835 -0.8945 1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9117 -2.2958 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2925 -0.9644 -1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5893 -1.5338 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7521 0.6775 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6264 0.3436 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6744 1.6358 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -0.3973 1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 0.6493 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3843 2.4690 3.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8909 0.4778 4.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6301 0.0621 2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 -1.9134 4.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1432 -2.6857 3.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8101 -2.5845 3.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2479 -3.6084 3.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7881 -1.5593 1.2528 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 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 22 47 1 0 47 48 1 0 49 48 1 6 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 8 6 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 1 8 70 1 6 9 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 6 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 45127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 53136 1 0 53137 1 0 54138 1 1 55139 1 0 56140 1 0 56141 1 0 57142 1 0 M END