@MOLECULE d-mannonate 13 7 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.0722 0.2832 1.6745 O.2 1 UNL1 -0.4351 2 O -1.9465 1.2222 2.6221 O.2 2 UNL2 -0.4491 3 O 2.5284 -2.3925 -0.5629 O.2 3 UNL3 -0.4234 4 O -2.6795 1.7671 -2.0300 O.2 4 UNL4 -0.4402 5 O 3.2074 1.9080 -1.4407 O.2 5 UNL5 -0.4311 6 O -2.4670 -1.6396 -1.0394 O.2 6 UNL6 -0.3310 7 O -0.8030 -2.0936 0.5399 O.2 6 UNL6 -0.3338 8 C 0.9675 0.5182 1.8248 C.2 1 UNL1 0.4481 9 C -1.3492 1.2770 1.6521 C.2 2 UNL2 0.4376 10 C 1.8018 -1.5223 -0.4622 C.2 3 UNL3 0.4219 11 C -1.8984 1.0772 -1.5718 C.2 4 UNL4 0.4393 12 C 2.2281 1.7699 -0.8768 C.2 5 UNL5 0.4306 13 C -1.6326 -1.8609 -0.2511 C.1 6 UNL6 0.6662 @BOND 1 4 11 2 2 5 12 2 3 6 13 2 4 3 10 2 5 13 7 2 6 9 2 2 7 1 8 2