@MOLECULE spongiadioxin c 23 25 0 0 0 SMALL GASTEIGER @ATOM 1 BR -1.5139 -3.0651 0.0044 Br 1 UNL1111111111 0.0161 2 BR 5.6186 -0.2482 -0.0060 Br 1 UNL1111111111 -0.0274 3 BR -5.1246 1.3142 -0.0059 Br 1 UNL1111111111 -0.0205 4 O 0.0052 1.9785 -0.0055 O.3 1 UNL1111111111 -0.2365 5 O 0.4851 -0.8873 -0.0009 O.3 1 UNL1111111111 -0.1951 6 O 2.2175 3.6399 0.0188 O.3 1 UNL1111111111 -0.4263 7 C 1.2671 1.4124 0.0035 C.ar 1 UNL1111111111 -0.0739 8 C 1.5007 0.0379 -0.0006 C.ar 1 UNL1111111111 0.1920 9 C -1.0063 1.0514 0.0029 C.ar 1 UNL1111111111 0.1490 10 C -0.7730 -0.3306 0.0026 C.ar 1 UNL1111111111 0.0786 11 C 2.3513 2.2984 0.0094 C.ar 1 UNL1111111111 0.2921 12 C 2.7936 -0.4820 -0.0027 C.ar 1 UNL1111111111 -0.2582 13 C -2.3008 1.5615 0.0024 C.ar 1 UNL1111111111 -0.1945 14 C -1.8464 -1.2121 0.0037 C.ar 1 UNL1111111111 -0.0474 15 C 3.6627 1.8018 0.0060 C.ar 1 UNL1111111111 -0.2663 16 C 3.8476 0.4273 -0.0007 C.ar 1 UNL1111111111 0.0590 17 C -3.3523 0.6481 0.0011 C.ar 1 UNL1111111111 -0.0056 18 C -3.1537 -0.7277 0.0028 C.ar 1 UNL1111111111 -0.1642 19 H -2.4627 2.6406 0.0017 H 1 UNL1111111111 0.1954 20 H 2.9435 -1.5621 -0.0058 H 1 UNL1111111111 0.1995 21 H 4.4930 2.5092 0.0093 H 1 UNL1111111111 0.1999 22 H -3.9999 -1.4201 0.0026 H 1 UNL1111111111 0.1919 23 H 1.2611 3.9166 0.0368 H 1 UNL1111111111 0.3423 @BOND 1 1 14 1 2 2 16 1 3 3 17 1 4 4 7 1 5 4 9 1 6 5 8 1 7 5 10 1 8 6 11 1 9 6 23 1 10 7 8 ar 11 7 11 ar 12 8 12 ar 13 9 10 ar 14 9 13 ar 15 10 14 ar 16 11 15 ar 17 12 16 ar 18 12 20 1 19 13 17 ar 20 13 19 1 21 14 18 ar 22 15 16 ar 23 15 21 1 24 17 18 ar 25 18 22 1