@MOLECULE spongiadioxin a 23 25 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.7193 1.7284 0.0001 Br 1 UNL1111111111 0.0348 2 BR 1.7036 2.8907 -0.0001 Br 1 UNL1111111111 0.0175 3 BR -5.1431 -0.6385 0.0000 Br 1 UNL1111111111 -0.0009 4 BR 5.7203 -1.1221 0.0001 Br 1 UNL1111111111 -0.0234 5 O 0.6817 -2.2815 -0.0003 O.3 1 UNL1111111111 -0.1592 6 O -0.0754 0.5271 -0.0005 O.3 1 UNL1111111111 -0.1704 7 O -1.2130 -4.1051 -0.0005 O.3 1 UNL1111111111 -0.4077 8 C -0.6251 -1.8407 -0.0001 C.ar 1 UNL1111111111 -0.0177 9 C -0.9892 -0.4958 -0.0001 C.ar 1 UNL1111111111 0.1633 10 C 1.5963 -1.2568 -0.0001 C.ar 1 UNL1111111111 0.1262 11 C 1.2347 0.0957 -0.0005 C.ar 1 UNL1111111111 0.0672 12 C -1.6291 -2.8219 0.0001 C.ar 1 UNL1111111111 0.2822 13 C -2.3320 -0.1105 0.0001 C.ar 1 UNL1111111111 -0.1489 14 C 2.9344 -1.6395 0.0003 C.ar 1 UNL1111111111 -0.1880 15 C 2.2147 1.0792 -0.0002 C.ar 1 UNL1111111111 -0.0413 16 C -2.9778 -2.4485 0.0004 C.ar 1 UNL1111111111 -0.3170 17 C -3.3084 -1.0975 0.0004 C.ar 1 UNL1111111111 0.0511 18 C 3.5627 0.7221 -0.0000 C.ar 1 UNL1111111111 -0.1684 19 C 3.8922 -0.6285 0.0001 C.ar 1 UNL1111111111 -0.0036 20 H 3.1966 -2.6995 0.0009 H 1 UNL1111111111 0.1978 21 H -3.7486 -3.2176 0.0008 H 1 UNL1111111111 0.1870 22 H 4.3382 1.4920 0.0001 H 1 UNL1111111111 0.1901 23 H -1.9783 -4.7406 -0.0005 H 1 UNL1111111111 0.3294 @BOND 1 1 13 1 2 2 15 1 3 3 17 1 4 4 19 1 5 5 8 1 6 5 10 1 7 6 9 1 8 6 11 1 9 7 12 1 10 7 23 1 11 8 9 ar 12 8 12 ar 13 9 13 ar 14 10 11 ar 15 10 14 ar 16 11 15 ar 17 12 16 ar 18 13 17 ar 19 14 19 ar 20 14 20 1 21 15 18 ar 22 16 17 ar 23 16 21 1 24 18 19 ar 25 18 22 1