@MOLECULE (12e,25z)-16,21,32,36-tetrabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.2~20,23~.1~3,7~.1~14,18~]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione 78 82 0 0 0 SMALL GASTEIGER @ATOM 1 BR -5.7757 2.7210 -0.8869 Br 1 UNL111111111 -0.0196 2 BR 1.3330 -4.8796 -0.8369 Br 1 UNL111111111 0.0020 3 BR 1.8434 0.1782 1.7607 Br 1 UNL111111111 -0.0128 4 BR 6.6938 0.7825 0.0606 Br 1 UNL111111111 -0.0090 5 O -3.2645 2.8906 0.5755 O.3 1 UNL111111111 -0.2691 6 O 2.6181 -2.4221 -0.0716 O.3 1 UNL111111111 -0.2833 7 O -3.1322 2.0285 3.2127 O.3 1 UNL111111111 -0.4496 8 O 2.3677 4.3982 -2.0827 O.2 1 UNL111111111 -0.5055 9 O 5.0649 -1.6207 0.8202 O.3 1 UNL111111111 -0.4105 10 O -4.7733 -1.9087 0.5700 O.2 1 UNL111111111 -0.4915 11 O -0.3502 1.0748 -3.2970 O.2 1 UNL111111111 -0.3225 12 O -4.6411 -5.4402 1.0673 O.2 1 UNL111111111 -0.3142 13 N 1.8413 3.1291 -0.2623 N.am 1 UNL111111111 -0.5649 14 N -3.7335 -3.3176 -0.8823 N.am 1 UNL111111111 -0.5815 15 N 0.0681 2.1206 -2.5054 N.2 1 UNL111111111 -0.1586 16 N -3.7372 -4.8114 1.8943 N.2 1 UNL111111111 -0.1547 17 C 1.1077 5.0691 1.0913 C.3 1 UNL111111111 -0.3146 18 C -3.3321 -1.6648 -2.7173 C.3 1 UNL111111111 -0.3046 19 C -0.0347 4.2710 1.6318 C.ar 1 UNL111111111 -0.0335 20 C 2.2782 4.1480 0.6929 C.3 1 UNL111111111 -0.0543 21 C -3.2509 -0.4224 -1.8893 C.ar 1 UNL111111111 -0.0363 22 C -4.3035 -2.6775 -2.0697 C.3 1 UNL111111111 -0.0514 23 C -1.0954 3.9168 0.7956 C.ar 1 UNL111111111 -0.1475 24 C -2.1354 3.1661 1.3243 C.ar 1 UNL111111111 0.0263 25 C 2.4245 1.4526 -3.1074 C.3 1 UNL111111111 -0.2909 26 C 3.1233 0.6393 -2.0594 C.ar 1 UNL111111111 -0.0190 27 C -0.0312 3.8642 2.9706 C.ar 1 UNL111111111 -0.1266 28 C -2.4495 -2.8511 2.3700 C.3 1 UNL111111111 -0.2691 29 C -4.3512 0.4398 -1.8373 C.ar 1 UNL111111111 -0.1133 30 C -2.1047 -0.1550 -1.1395 C.ar 1 UNL111111111 -0.1172 31 C -3.1614 1.7912 -0.2344 C.ar 1 UNL111111111 0.2037 32 C -1.1231 -2.6966 1.6970 C.ar 1 UNL111111111 -0.0017 33 C 1.3462 2.2659 -2.4605 C.2 1 UNL111111111 0.0253 34 C -2.1340 2.7576 2.6643 C.ar 1 UNL111111111 0.2310 35 C -4.3023 1.5453 -1.0054 C.ar 1 UNL111111111 -0.0978 36 C -2.0477 0.9584 -0.3049 C.ar 1 UNL111111111 -0.2360 37 C 1.8671 3.4032 -1.6093 C.2 1 UNL111111111 0.5815 38 C -1.0713 3.1087 3.4985 C.ar 1 UNL111111111 -0.2242 39 C 2.4928 -0.5048 -1.5629 C.ar 1 UNL111111111 -0.1582 40 C -3.4298 -3.6149 1.5267 C.2 1 UNL111111111 0.0140 41 C 3.1331 -1.2482 -0.5850 C.ar 1 UNL111111111 0.0468 42 C -4.0391 -2.8524 0.3745 C.2 1 UNL111111111 0.5629 43 C 1.3741 -2.3722 0.4976 C.ar 1 UNL111111111 0.1854 44 C 4.3782 1.0254 -1.5787 C.ar 1 UNL111111111 -0.1206 45 C -0.5986 -3.7215 0.9036 C.ar 1 UNL111111111 -0.1428 46 C -0.3944 -1.5251 1.9030 C.ar 1 UNL111111111 -0.1225 47 C 4.4122 -0.9003 -0.1150 C.ar 1 UNL111111111 0.2241 48 C 0.6269 -3.5390 0.2857 C.ar 1 UNL111111111 -0.0859 49 C 0.8612 -1.3738 1.3207 C.ar 1 UNL111111111 -0.1048 50 C 5.0163 0.2531 -0.6147 C.ar 1 UNL111111111 -0.0968 51 H 0.7943 5.6623 0.2012 H 1 UNL111111111 0.1710 52 H 1.4535 5.8206 1.8278 H 1 UNL111111111 0.1545 53 H -3.6903 -1.4258 -3.7410 H 1 UNL111111111 0.1564 54 H -2.3355 -2.1288 -2.8561 H 1 UNL111111111 0.1561 55 H 3.1003 4.7524 0.2391 H 1 UNL111111111 0.1638 56 H 2.7017 3.6356 1.5848 H 1 UNL111111111 0.1424 57 H -5.2577 -2.1653 -1.7906 H 1 UNL111111111 0.1722 58 H -4.5676 -3.4696 -2.8051 H 1 UNL111111111 0.1365 59 H -1.1202 4.2224 -0.2516 H 1 UNL111111111 0.1846 60 H 3.1295 2.1258 -3.6477 H 1 UNL111111111 0.1821 61 H 2.0111 0.7923 -3.9043 H 1 UNL111111111 0.1828 62 H 0.7999 4.1464 3.6162 H 1 UNL111111111 0.1543 63 H 1.2530 2.3905 0.0977 H 1 UNL111111111 0.3200 64 H -2.3034 -3.3575 3.3585 H 1 UNL111111111 0.1919 65 H -2.8935 -1.8564 2.6242 H 1 UNL111111111 0.1948 66 H -5.2381 0.2275 -2.4379 H 1 UNL111111111 0.1691 67 H -1.2501 -0.8317 -1.1882 H 1 UNL111111111 0.1581 68 H -3.0839 -4.0704 -1.0274 H 1 UNL111111111 0.3137 69 H -1.1531 1.1631 0.2778 H 1 UNL111111111 0.1739 70 H -1.0774 2.7967 4.5398 H 1 UNL111111111 0.1753 71 H 1.5114 -0.8043 -1.9320 H 1 UNL111111111 0.1821 72 H 4.8439 1.9390 -1.9585 H 1 UNL111111111 0.1809 73 H -1.1566 -4.6545 0.7963 H 1 UNL111111111 0.1800 74 H -0.8146 -0.7366 2.5348 H 1 UNL111111111 0.1867 75 H -3.8415 1.8257 2.5401 H 1 UNL111111111 0.3468 76 H 4.5083 -2.3982 1.1135 H 1 UNL111111111 0.3395 77 H -1.3511 1.0710 -3.1449 H 1 UNL111111111 0.3244 78 H -4.8187 -6.3047 1.5544 H 1 UNL111111111 0.3193 @BOND 1 1 35 1 2 2 48 1 3 3 49 1 4 4 50 1 5 5 24 1 6 5 31 1 7 6 41 1 8 6 43 1 9 7 34 1 10 7 75 1 11 8 37 2 12 9 47 1 13 9 76 1 14 10 42 2 15 11 15 1 16 11 77 1 17 12 16 1 18 12 78 1 19 13 20 1 20 13 37 am 21 13 63 1 22 14 22 1 23 14 42 am 24 14 68 1 25 15 33 2 26 16 40 2 27 17 19 1 28 17 20 1 29 17 51 1 30 17 52 1 31 18 21 1 32 18 22 1 33 18 53 1 34 18 54 1 35 19 23 ar 36 19 27 ar 37 20 55 1 38 20 56 1 39 21 29 ar 40 21 30 ar 41 22 57 1 42 22 58 1 43 23 24 ar 44 23 59 1 45 24 34 ar 46 25 26 1 47 25 33 1 48 25 60 1 49 25 61 1 50 26 39 ar 51 26 44 ar 52 27 38 ar 53 27 62 1 54 28 32 1 55 28 40 1 56 28 64 1 57 28 65 1 58 29 35 ar 59 29 66 1 60 30 36 ar 61 30 67 1 62 31 35 ar 63 31 36 ar 64 32 45 ar 65 32 46 ar 66 33 37 1 67 34 38 ar 68 36 69 1 69 38 70 1 70 39 41 ar 71 39 71 1 72 40 42 1 73 41 47 ar 74 43 48 ar 75 43 49 ar 76 44 50 ar 77 44 72 1 78 45 48 ar 79 45 73 1 80 46 49 ar 81 46 74 1 82 47 50 ar