@MOLECULE 6-chloro-6-deoxy-d-glucitol 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.4769 -1.7685 -0.1427 Cl 1 UNL1111111111 -0.1799 2 O 1.4224 1.4744 -1.4719 O.3 1 UNL1111111111 -0.5412 3 O -0.2677 1.6248 1.6650 O.3 1 UNL1111111111 -0.5683 4 O 0.8602 -1.0096 -0.5451 O.3 1 UNL1111111111 -0.5860 5 O -2.4259 1.4670 -0.5240 O.3 1 UNL1111111111 -0.5806 6 O 3.3205 -1.7476 0.4236 O.3 1 UNL1111111111 -0.5632 7 C 1.2207 1.2691 -0.0968 C.3 1 UNL1111111111 0.0934 8 C -0.2439 1.6234 0.2509 C.3 1 UNL1111111111 0.0806 9 C 1.6215 -0.1634 0.2987 C.3 1 UNL1111111111 0.0862 10 C -1.2963 0.6368 -0.2978 C.3 1 UNL1111111111 0.1004 11 C 3.1182 -0.3963 0.0357 C.3 1 UNL1111111111 -0.0552 12 C -1.6626 -0.4369 0.7161 C.3 1 UNL1111111111 -0.2026 13 H 1.8995 2.0163 0.3833 H 1 UNL1111111111 0.1612 14 H -0.4750 2.6519 -0.1258 H 1 UNL1111111111 0.1595 15 H 1.3540 -0.3932 1.3559 H 1 UNL1111111111 0.1557 16 H -0.9691 0.2116 -1.2765 H 1 UNL1111111111 0.1553 17 H 3.3679 -0.2762 -1.0339 H 1 UNL1111111111 0.1382 18 H 3.7560 0.2604 0.6507 H 1 UNL1111111111 0.1273 19 H -2.3687 -0.0726 1.4795 H 1 UNL1111111111 0.1631 20 H -0.7789 -0.8730 1.2132 H 1 UNL1111111111 0.1807 21 H 1.0629 0.7119 -1.9844 H 1 UNL1111111111 0.3356 22 H -1.0909 2.0486 1.9869 H 1 UNL1111111111 0.3335 23 H 1.2323 -1.9211 -0.5237 H 1 UNL1111111111 0.3520 24 H -3.1477 0.9702 -0.9581 H 1 UNL1111111111 0.3319 25 H 4.2349 -2.0275 0.2294 H 1 UNL1111111111 0.3223 @BOND 1 1 12 1 2 2 7 1 3 2 21 1 4 3 8 1 5 3 22 1 6 4 9 1 7 4 23 1 8 5 10 1 9 5 24 1 10 6 11 1 11 6 25 1 12 7 8 1 13 7 9 1 14 7 13 1 15 8 10 1 16 8 14 1 17 9 11 1 18 9 15 1 19 10 12 1 20 10 16 1 21 11 17 1 22 11 18 1 23 12 19 1 24 12 20 1