@MOLECULE dictyosphaeric acid a 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2594 1.4696 -1.2297 O.2 1 UNL1111111111 -0.3372 2 O 3.9781 2.1337 -0.8090 O.3 1 UNL1111111111 -0.5433 3 O 4.8536 0.9843 1.5435 O.3 1 UNL1111111111 -0.5807 4 O 2.5086 -1.9845 -0.6934 O.3 1 UNL1111111111 -0.4385 5 O 2.5086 2.1781 2.1601 O.2 1 UNL1111111111 -0.4437 6 O 0.9060 -2.1408 0.8789 O.2 1 UNL1111111111 -0.5299 7 O -9.8302 0.2404 -0.0919 O.3 1 UNL1111111111 -0.5543 8 O -8.8686 -1.4241 1.0358 O.2 1 UNL1111111111 -0.5061 9 C 2.0644 0.8173 -1.0277 C.3 1 UNL1111111111 -0.1200 10 C 3.1047 1.3460 -0.0246 C.3 1 UNL1111111111 0.1240 11 C 1.0934 1.9345 -1.5367 C.3 1 UNL1111111111 0.0883 12 C 3.9254 0.2732 0.7392 C.3 1 UNL1111111111 0.1221 13 C 1.0985 -0.1855 -0.4695 C.2 1 UNL1111111111 -0.3623 14 C 4.8012 -0.5789 -0.1802 C.3 1 UNL1111111111 -0.2868 15 C 2.4384 2.3223 0.9657 C.2 1 UNL1111111111 0.4385 16 C 1.1585 3.2718 -0.8666 C.2 1 UNL1111111111 -0.1084 17 C -0.1752 0.2767 -0.5796 C.2 1 UNL1111111111 0.3370 18 C 5.2491 -1.8775 0.5020 C.3 1 UNL1111111111 -0.2481 19 C 1.7478 3.4499 0.3174 C.2 1 UNL1111111111 -0.2316 20 C 4.1054 -2.8161 0.9058 C.3 1 UNL1111111111 -0.3257 21 C 1.4576 -1.5036 0.0118 C.2 1 UNL1111111111 0.6425 22 C 3.1385 -3.1891 -0.2236 C.3 1 UNL1111111111 0.1673 23 C -1.4311 -0.2892 -0.1461 C.2 1 UNL1111111111 -0.2096 24 C 3.8131 -3.7498 -1.4701 C.3 1 UNL1111111111 -0.4756 25 C -2.6186 0.2793 -0.4147 C.2 1 UNL1111111111 -0.0846 26 C -3.8711 -0.3007 0.0406 C.2 1 UNL1111111111 -0.1243 27 C -5.0621 0.2444 -0.2666 C.2 1 UNL1111111111 -0.1644 28 C -6.3133 -0.3391 0.1879 C.2 1 UNL1111111111 -0.0396 29 C -7.5061 0.1844 -0.1350 C.2 1 UNL1111111111 -0.2817 30 C -8.7388 -0.4434 0.3469 C.2 1 UNL1111111111 0.6410 31 H 2.6270 0.3841 -1.8966 H 1 UNL1111111111 0.1869 32 H 1.1145 2.0117 -2.6441 H 1 UNL1111111111 0.1546 33 H 3.2609 -0.3332 1.3920 H 1 UNL1111111111 0.1445 34 H 4.2756 -0.7959 -1.1285 H 1 UNL1111111111 0.1638 35 H 5.6992 0.0081 -0.4696 H 1 UNL1111111111 0.1530 36 H 0.6442 4.0757 -1.3933 H 1 UNL1111111111 0.1595 37 H 5.8368 -1.6185 1.4087 H 1 UNL1111111111 0.1490 38 H 5.9502 -2.4123 -0.1673 H 1 UNL1111111111 0.1321 39 H 1.7669 4.3986 0.8509 H 1 UNL1111111111 0.1796 40 H 4.8450 2.2286 -0.3400 H 1 UNL1111111111 0.3450 41 H 3.5214 -2.3616 1.7347 H 1 UNL1111111111 0.1604 42 H 4.5328 -3.7460 1.3307 H 1 UNL1111111111 0.1446 43 H 2.3472 -3.8803 0.1521 H 1 UNL1111111111 0.1383 44 H 4.3940 1.3838 2.3163 H 1 UNL1111111111 0.3417 45 H -1.3356 -1.2184 0.4362 H 1 UNL1111111111 0.2032 46 H 3.0710 -4.0353 -2.2259 H 1 UNL1111111111 0.1554 47 H 4.4129 -4.6336 -1.2297 H 1 UNL1111111111 0.1534 48 H 4.4750 -3.0090 -1.9370 H 1 UNL1111111111 0.1631 49 H -2.6855 1.2088 -0.9904 H 1 UNL1111111111 0.1645 50 H -3.7964 -1.2079 0.6486 H 1 UNL1111111111 0.1664 51 H -5.1375 1.1508 -0.8725 H 1 UNL1111111111 0.1607 52 H -6.2446 -1.2401 0.8149 H 1 UNL1111111111 0.1732 53 H -7.6320 1.0745 -0.7528 H 1 UNL1111111111 0.1875 54 H -10.6856 -0.1505 0.2147 H 1 UNL1111111111 0.3550 @BOND 1 1 11 1 2 1 17 1 3 2 10 1 4 2 40 1 5 3 12 1 6 3 44 1 7 4 21 1 8 4 22 1 9 5 15 2 10 6 21 2 11 7 30 1 12 7 54 1 13 8 30 2 14 9 10 1 15 9 11 1 16 9 13 1 17 9 31 1 18 10 12 1 19 10 15 1 20 11 16 1 21 11 32 1 22 12 14 1 23 12 33 1 24 13 17 2 25 13 21 1 26 14 18 1 27 14 34 1 28 14 35 1 29 15 19 1 30 16 19 2 31 16 36 1 32 17 23 1 33 18 20 1 34 18 37 1 35 18 38 1 36 19 39 1 37 20 22 1 38 20 41 1 39 20 42 1 40 22 24 1 41 22 43 1 42 23 25 2 43 23 45 1 44 24 46 1 45 24 47 1 46 24 48 1 47 25 26 1 48 25 49 1 49 26 27 2 50 26 50 1 51 27 28 1 52 27 51 1 53 28 29 2 54 28 52 1 55 29 30 1 56 29 53 1