@MOLECULE (2s,3s,4r,5r,6r)-2,3,4,5,6,7-hexahydroxyheptanal 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6633 2.1371 -0.4043 O.3 1 UNL1111111111 -0.3830 2 O -1.4005 1.4511 1.1728 O.3 1 UNL1111111111 -0.4586 3 O 0.5692 -0.3357 1.5484 O.3 1 UNL1111111111 -0.4322 4 O -1.8080 -0.9122 -1.4388 O.3 1 UNL1111111111 -0.5378 5 O 2.8424 0.6105 -1.0281 O.3 1 UNL1111111111 -0.5415 6 O -4.0876 -1.4840 0.1308 O.3 1 UNL1111111111 -0.4064 7 O 3.9150 -1.6735 -0.1419 O.2 1 UNL1111111111 -0.2722 8 C 0.1414 0.8376 -0.6063 C.3 1 UNL1111111111 -0.7058 9 C -1.3309 0.9871 -0.1695 C.3 1 UNL1111111111 -0.0508 10 C 0.9347 -0.2146 0.1958 C.3 1 UNL1111111111 -0.0545 11 C -2.0653 -0.3680 -0.1584 C.3 1 UNL1111111111 0.3262 12 C 2.4442 0.1392 0.2345 C.3 1 UNL1111111111 -0.0477 13 C -3.5730 -0.1637 0.0453 C.3 1 UNL1111111111 -0.6427 14 C 3.2163 -1.0995 0.6565 C.2 1 UNL1111111111 0.0103 15 H 0.1944 0.5919 -1.6959 H 1 UNL1111111111 0.3776 16 H -1.8437 1.7333 -0.8180 H 1 UNL1111111111 0.2055 17 H 0.7565 -1.2285 -0.2385 H 1 UNL1111111111 0.2444 18 H -1.6514 -1.0677 0.6066 H 1 UNL1111111111 0.1405 19 H 2.6315 0.9967 0.9245 H 1 UNL1111111111 0.2075 20 H -3.7802 0.3970 0.9741 H 1 UNL1111111111 0.2766 21 H -4.0464 0.3348 -0.8192 H 1 UNL1111111111 0.2196 22 H 1.5575 2.2062 -0.8105 H 1 UNL1111111111 0.3995 23 H -0.8880 2.2944 1.2460 H 1 UNL1111111111 0.3757 24 H -0.1309 0.3204 1.7861 H 1 UNL1111111111 0.3986 25 H -2.4156 -1.6701 -1.5989 H 1 UNL1111111111 0.3825 26 H 3.0915 -1.4449 1.6887 H 1 UNL1111111111 0.2297 27 H 3.2701 -0.1087 -1.5543 H 1 UNL1111111111 0.3924 28 H -4.9872 -1.4803 0.5079 H 1 UNL1111111111 0.3465 @BOND 1 1 8 1 2 1 22 1 3 2 9 1 4 2 23 1 5 3 10 1 6 3 24 1 7 4 11 1 8 4 25 1 9 5 12 1 10 5 27 1 11 6 13 1 12 6 28 1 13 7 14 2 14 8 9 1 15 8 10 1 16 8 15 1 17 9 11 1 18 9 16 1 19 10 12 1 20 10 17 1 21 11 13 1 22 11 18 1 23 12 14 1 24 12 19 1 25 13 20 1 26 13 21 1 27 14 26 1