@MOLECULE fusaric acid 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8683 1.2553 0.3458 O.3 1 UNL1111 -0.4798 2 OXT -4.0599 -0.9562 0.5354 O.2 1 UNL1111 -0.5107 3 N -1.2769 1.1060 -0.3039 N.ar 1 UNL1111 -0.2894 4 C 3.0394 0.0202 0.2745 C.3 1 UNL1111 -0.2609 5 C 2.1975 -0.1622 -0.9994 C.3 1 UNL1111 -0.2932 6 C 4.5339 0.0561 -0.0670 C.3 1 UNL1111 -0.2477 7 C 0.7471 -0.1633 -0.6516 C.ar 1 UNL1111 -0.0217 8 C 5.3726 0.2468 1.1964 C.3 1 UNL1111 -0.4392 9 C 0.0731 -1.3445 -0.3451 C.ar 1 UNL1111 -0.1436 10 C 0.0251 1.0470 -0.6127 C.ar 1 UNL1111 0.0007 11 C -1.2819 -1.2941 -0.0220 C.ar 1 UNL1111 -0.1491 12 CA -1.9164 -0.0450 -0.0176 C.ar 1 UNL1111 0.0287 13 C -3.3646 0.0053 0.3117 C.2 1 UNL1111 0.6280 14 H 2.8312 -0.8004 0.9871 H 1 UNL1111 0.1432 15 H 2.7453 0.9518 0.7944 H 1 UNL1111 0.1444 16 H 2.4869 -1.1029 -1.5119 H 1 UNL1111 0.1554 17 H 2.4322 0.6438 -1.7255 H 1 UNL1111 0.1552 18 H 4.8296 -0.8797 -0.5783 H 1 UNL1111 0.1347 19 H 4.7415 0.8725 -0.7848 H 1 UNL1111 0.1357 20 H 5.2084 -0.5648 1.9143 H 1 UNL1111 0.1444 21 H 5.1292 1.1881 1.7024 H 1 UNL1111 0.1452 22 H 6.4432 0.2670 0.9636 H 1 UNL1111 0.1415 23 H 0.5983 -2.2992 -0.3577 H 1 UNL1111 0.1670 24 H 0.5056 2.0068 -0.8374 H 1 UNL1111 0.1795 25 H -1.8424 -2.1994 0.2206 H 1 UNL1111 0.1879 26 H -4.8393 1.2661 0.5633 H 1 UNL1111 0.3440 @BOND 1 1 13 1 2 1 26 1 3 2 13 2 4 3 10 ar 5 3 12 ar 6 4 5 1 7 4 6 1 8 4 14 1 9 4 15 1 10 5 7 1 11 5 16 1 12 5 17 1 13 6 8 1 14 6 18 1 15 6 19 1 16 7 9 ar 17 7 10 ar 18 8 20 1 19 8 21 1 20 8 22 1 21 9 11 ar 22 9 23 1 23 10 24 1 24 11 12 ar 25 11 25 1 26 12 13 1