@MOLECULE 6-chloro-6-deoxy-d-fructose 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.1695 0.1070 -0.2272 Cl 1 UNL1111111111 -0.1802 2 O -0.1871 -1.6187 0.0452 O.3 1 UNL1111111111 -0.5569 3 O -1.3887 0.7443 1.2705 O.3 1 UNL1111111111 -0.5504 4 O 1.1429 1.7676 -0.4286 O.3 1 UNL1111111111 -0.5108 5 O 2.4778 -1.3913 0.2542 O.2 1 UNL1111111111 -0.4628 6 O 4.7512 -0.0678 -0.2945 O.3 1 UNL1111111111 -0.5184 7 C -0.1258 -0.3010 -0.4338 C.3 1 UNL1111111111 0.0965 8 C -1.4975 0.3336 -0.0765 C.3 1 UNL1111111111 0.1165 9 C 1.0263 0.5128 0.1933 C.3 1 UNL1111111111 -0.0204 10 C -2.5913 -0.7167 -0.2153 C.3 1 UNL1111111111 -0.2168 11 C 2.3743 -0.1906 0.1426 C.2 1 UNL1111111111 0.3836 12 C 3.5995 0.6785 0.0116 C.3 1 UNL1111111111 -0.0951 13 H -0.0106 -0.3603 -1.5424 H 1 UNL1111111111 0.1256 14 H -1.6747 1.2395 -0.7023 H 1 UNL1111111111 0.1392 15 H 0.7907 0.7795 1.2638 H 1 UNL1111111111 0.2177 16 H -2.5915 -1.4178 0.6421 H 1 UNL1111111111 0.1909 17 H -2.5205 -1.3020 -1.1454 H 1 UNL1111111111 0.1703 18 H 0.7207 -1.9748 0.2126 H 1 UNL1111111111 0.3570 19 H 3.5211 1.4155 -0.8143 H 1 UNL1111111111 0.1733 20 H 3.7911 1.2341 0.9547 H 1 UNL1111111111 0.1636 21 H -2.2261 1.1458 1.5841 H 1 UNL1111111111 0.3310 22 H 1.1355 1.6877 -1.4075 H 1 UNL1111111111 0.3124 23 H 4.6520 -1.0017 0.0106 H 1 UNL1111111111 0.3342 @BOND 1 1 10 1 2 2 7 1 3 2 18 1 4 3 8 1 5 3 21 1 6 4 9 1 7 4 22 1 8 5 11 2 9 6 12 1 10 6 23 1 11 7 8 1 12 7 9 1 13 7 13 1 14 8 10 1 15 8 14 1 16 9 11 1 17 9 15 1 18 10 16 1 19 10 17 1 20 11 12 1 21 12 19 1 22 12 20 1