@MOLECULE brialalepolide c 89 92 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.7876 -1.4235 1.9872 O.3 1 UNL11 -0.3482 2 O -0.5792 -0.4060 3.1776 O.3 1 UNL11 -0.3908 3 O -0.6163 -1.1132 -0.8018 O.3 1 UNL11 -0.4464 4 O 3.1902 -2.3898 -0.1016 O.3 1 UNL11 -0.5907 5 O -0.3165 -2.1195 4.5798 O.2 1 UNL11 -0.3986 6 O 0.9691 2.6837 -2.6297 O.3 1 UNL11 -0.5600 7 O 4.3624 0.0576 -0.2192 O.3 1 UNL11 -0.4464 8 O -1.5533 2.5062 1.1519 O.3 1 UNL11 -0.4477 9 O -1.4196 -3.1445 -0.2520 O.2 1 UNL11 -0.4986 10 O 6.4256 0.7022 -0.8399 O.2 1 UNL11 -0.5106 11 O -2.7887 3.6129 -0.3633 O.2 1 UNL11 -0.5225 12 C 0.5764 -1.1725 1.2533 C.3 1 UNL11 0.0172 13 C 0.6457 -2.2305 2.3157 C.3 1 UNL11 0.0952 14 C 0.6454 -1.4299 -0.2346 C.3 1 UNL11 0.1189 15 C 1.7559 -0.5657 -0.8700 C.3 1 UNL11 -0.2337 16 C -0.1606 0.0254 1.8593 C.3 1 UNL11 0.1093 17 C 1.4437 0.3658 -2.0708 C.3 1 UNL11 0.0349 18 C 2.9371 -1.5358 -1.1903 C.3 1 UNL11 0.3050 19 C -0.0939 -1.6476 3.5067 C.2 1 UNL11 0.5545 20 C 0.7408 -3.6938 2.1405 C.3 1 UNL11 -0.4652 21 C 0.9820 1.7779 -1.5467 C.3 1 UNL11 0.1498 22 C 4.2042 -0.6773 -1.4415 C.3 1 UNL11 0.0792 23 C 0.7750 1.1711 2.0434 C.2 1 UNL11 -0.2093 24 C 2.7071 0.7033 -2.8408 C.2 1 UNL11 -0.1248 25 C 0.4251 -0.2081 -3.0582 C.3 1 UNL11 -0.4498 26 C 2.7109 -2.4990 -2.3556 C.3 1 UNL11 -0.4779 27 C -0.3768 1.8273 -0.8483 C.3 1 UNL11 -0.3958 28 C 3.9390 0.2763 -2.5585 C.2 1 UNL11 -0.2370 29 C 0.7249 2.3370 1.3904 C.2 1 UNL11 0.0164 30 C -0.3473 2.7150 0.3986 C.3 1 UNL11 0.1316 31 C -1.5890 -2.0722 -0.7656 C.2 1 UNL11 0.6350 32 C 1.7407 3.4026 1.6286 C.3 1 UNL11 -0.4544 33 C -2.7998 -1.5511 -1.4509 C.3 1 UNL11 -0.5186 34 C 5.5316 0.7203 -0.0356 C.2 1 UNL11 0.6385 35 C -2.7092 3.0407 0.6925 C.2 1 UNL11 0.6191 36 C 5.4891 1.4326 1.2738 C.3 1 UNL11 -0.5099 37 C -3.7972 2.7896 1.6953 C.3 1 UNL11 -0.3501 38 C -4.3760 1.3834 1.5047 C.3 1 UNL11 -0.2470 39 C -5.0673 1.2398 0.1441 C.3 1 UNL11 -0.2795 40 C -5.7062 -0.1467 0.0060 C.3 1 UNL11 -0.2775 41 C -6.1636 -0.3903 -1.4373 C.3 1 UNL11 -0.2754 42 C -6.7346 -1.8051 -1.5994 C.3 1 UNL11 -0.2526 43 C -7.0400 -2.1044 -3.0668 C.3 1 UNL11 -0.4413 44 H 0.8416 -2.5244 -0.4185 H 1 UNL11 0.1831 45 H 2.1342 0.1225 -0.0548 H 1 UNL11 0.1866 46 H -1.1165 0.2650 1.3451 H 1 UNL11 0.1774 47 H 1.6364 -3.9815 1.5607 H 1 UNL11 0.1866 48 H -0.1336 -4.0961 1.5951 H 1 UNL11 0.1909 49 H 0.7958 -4.2246 3.1055 H 1 UNL11 0.1819 50 H 1.7967 2.2067 -0.9127 H 1 UNL11 0.1519 51 H 5.1054 -1.3100 -1.5927 H 1 UNL11 0.1612 52 H 1.5510 0.9755 2.7913 H 1 UNL11 0.1774 53 H 2.5385 1.3939 -3.6737 H 1 UNL11 0.1645 54 H -0.6067 -0.0098 -2.7452 H 1 UNL11 0.1553 55 H 0.5281 -1.2951 -3.1528 H 1 UNL11 0.1560 56 H 0.5462 0.2148 -4.0624 H 1 UNL11 0.1423 57 H 2.7205 -1.9837 -3.3219 H 1 UNL11 0.1620 58 H 1.7616 -3.0370 -2.2578 H 1 UNL11 0.1551 59 H 3.5006 -3.2656 -2.3694 H 1 UNL11 0.1717 60 H -0.7411 0.8218 -0.5781 H 1 UNL11 0.1837 61 H -1.1452 2.2244 -1.5485 H 1 UNL11 0.1760 62 H 4.8155 0.6020 -3.1160 H 1 UNL11 0.1692 63 H -0.3011 3.7927 0.1132 H 1 UNL11 0.1521 64 H 3.0168 -1.9645 0.7642 H 1 UNL11 0.3485 65 H 0.2426 2.4882 -3.2527 H 1 UNL11 0.3157 66 H 1.2989 4.2435 2.1873 H 1 UNL11 0.1662 67 H 2.6002 3.0490 2.2147 H 1 UNL11 0.1588 68 H 2.1379 3.8140 0.6881 H 1 UNL11 0.1636 69 H -2.6347 -1.4434 -2.5342 H 1 UNL11 0.1860 70 H -3.6571 -2.2321 -1.3132 H 1 UNL11 0.1917 71 H -3.0980 -0.5586 -1.0715 H 1 UNL11 0.1946 72 H 5.5658 2.5203 1.1215 H 1 UNL11 0.1830 73 H 6.3404 1.1291 1.9044 H 1 UNL11 0.1858 74 H 4.5656 1.2298 1.8380 H 1 UNL11 0.1842 75 H -3.4011 2.8979 2.7294 H 1 UNL11 0.1812 76 H -4.5874 3.5612 1.5813 H 1 UNL11 0.1754 77 H -3.5741 0.6258 1.6154 H 1 UNL11 0.1511 78 H -5.0960 1.1701 2.3202 H 1 UNL11 0.1494 79 H -5.8391 2.0237 0.0205 H 1 UNL11 0.1439 80 H -4.3439 1.4205 -0.6741 H 1 UNL11 0.1434 81 H -6.5674 -0.2364 0.6950 H 1 UNL11 0.1395 82 H -4.9948 -0.9332 0.3208 H 1 UNL11 0.1385 83 H -6.9269 0.3579 -1.7235 H 1 UNL11 0.1392 84 H -5.3233 -0.2378 -2.1395 H 1 UNL11 0.1345 85 H -6.0259 -2.5554 -1.2016 H 1 UNL11 0.1323 86 H -7.6541 -1.9118 -0.9927 H 1 UNL11 0.1364 87 H -7.7562 -1.3862 -3.4818 H 1 UNL11 0.1444 88 H -6.1362 -2.0616 -3.6839 H 1 UNL11 0.1403 89 H -7.4732 -3.1039 -3.1866 H 1 UNL11 0.1431 @BOND 1 56 25 1 2 88 43 1 3 53 24 1 4 87 43 1 5 57 26 1 6 65 6 1 7 89 43 1 8 55 25 1 9 62 28 1 10 43 42 1 11 25 54 1 12 25 17 1 13 24 28 2 14 24 17 1 15 6 21 1 16 28 22 1 17 69 33 1 18 59 26 1 19 26 58 1 20 26 18 1 21 84 41 1 22 17 21 1 23 17 15 1 24 83 41 1 25 42 41 1 26 42 85 1 27 42 86 1 28 51 22 1 29 61 27 1 30 21 50 1 31 21 27 1 32 33 70 1 33 33 71 1 34 33 31 1 35 22 18 1 36 22 7 1 37 41 40 1 38 18 15 1 39 18 4 1 40 15 14 1 41 15 45 1 42 27 60 1 43 27 30 1 44 10 34 2 45 3 31 1 46 3 14 1 47 31 9 2 48 80 39 1 49 44 14 1 50 11 35 2 51 14 12 1 52 7 34 1 53 4 64 1 54 34 36 1 55 40 39 1 56 40 82 1 57 40 81 1 58 79 39 1 59 63 30 1 60 39 38 1 61 30 8 1 62 30 29 1 63 68 32 1 64 35 8 1 65 35 37 1 66 72 36 1 67 12 16 1 68 12 1 1 69 12 13 1 70 36 74 1 71 36 73 1 72 46 16 1 73 29 32 1 74 29 23 2 75 38 77 1 76 38 37 1 77 38 78 1 78 47 20 1 79 76 37 1 80 48 20 1 81 32 66 1 82 32 67 1 83 37 75 1 84 16 23 1 85 16 2 1 86 1 13 1 87 23 52 1 88 20 13 1 89 20 49 1 90 13 19 1 91 2 19 1 92 19 5 2