@MOLECULE d-sorbitol 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.5032 1.1324 1.2752 O.3 1 UNL11111111 -0.5606 2 O 0.5390 -1.0261 -1.3298 O.3 1 UNL11111111 -0.5697 3 O -2.6779 1.3831 -0.6046 O.3 1 UNL11111111 -0.5806 4 O 2.5632 -1.3959 0.6309 O.3 1 UNL11111111 -0.5776 5 O -3.8976 -1.0235 0.1085 O.3 1 UNL11111111 -0.5390 6 O 3.9959 0.7363 -0.1407 O.3 1 UNL11111111 -0.5386 7 C -0.4909 0.6215 -0.0422 C.3 1 UNL11111111 0.0715 8 C 0.4743 -0.5792 0.0102 C.3 1 UNL11111111 0.0993 9 C -1.9059 0.1963 -0.4739 C.3 1 UNL11111111 0.0489 10 C 1.8691 -0.1624 0.5118 C.3 1 UNL11111111 0.0603 11 C -2.6487 -0.6021 0.6091 C.3 1 UNL11111111 -0.0125 12 C 2.6284 0.7193 -0.4945 C.3 1 UNL11111111 -0.0468 13 H -0.1032 1.4183 -0.7177 H 1 UNL11111111 0.1371 14 H 0.0773 -1.4077 0.6416 H 1 UNL11111111 0.1495 15 H -1.8878 -0.3564 -1.4401 H 1 UNL11111111 0.1571 16 H 1.8029 0.3234 1.5117 H 1 UNL11111111 0.1539 17 H -2.8057 -0.0067 1.5268 H 1 UNL11111111 0.1340 18 H -2.1328 -1.5478 0.8574 H 1 UNL11111111 0.1499 19 H 2.3270 1.7807 -0.4198 H 1 UNL11111111 0.1484 20 H 2.5087 0.3716 -1.5350 H 1 UNL11111111 0.1363 21 H -1.2446 1.7741 1.3696 H 1 UNL11111111 0.3402 22 H 1.1986 -1.7531 -1.3994 H 1 UNL11111111 0.3432 23 H -2.5260 1.8082 -1.4695 H 1 UNL11111111 0.3249 24 H 3.3388 -1.2898 1.2180 H 1 UNL11111111 0.3314 25 H -4.4075 -0.2432 -0.2023 H 1 UNL11111111 0.3248 26 H 4.4249 -0.1005 -0.4161 H 1 UNL11111111 0.3149 @BOND 1 20 12 1 2 23 3 1 3 15 9 1 4 22 2 1 5 2 8 1 6 13 7 1 7 3 9 1 8 12 19 1 9 12 6 1 10 12 10 1 11 9 7 1 12 9 11 1 13 26 6 1 14 25 5 1 15 7 8 1 16 7 1 1 17 8 10 1 18 8 14 1 19 5 11 1 20 10 4 1 21 10 16 1 22 11 18 1 23 11 17 1 24 4 24 1 25 1 21 1