@MOLECULE (1s)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-d-glucitol 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.6902 -0.9437 -0.4713 C.ar 1 UNL1111111111 0.1973 2 O 1.4603 -2.1735 -0.9889 O.3 1 UNL1111111111 -0.4664 3 C 0.6562 -0.0388 -0.1694 C.ar 1 UNL1111111111 -0.1082 4 C 0.9751 1.1996 0.3686 C.ar 1 UNL1111111111 -0.1788 5 C 2.3221 1.5420 0.5749 C.ar 1 UNL1111111111 0.1966 6 O 2.4685 2.7866 1.1060 O.3 1 UNL1111111111 -0.3053 7 C 3.3582 0.6688 0.2508 C.ar 1 UNL1111111111 -0.2599 8 C 3.0189 -0.5752 -0.2675 C.ar 1 UNL1111111111 -0.0279 9 CL 4.2606 -1.6693 -0.6564 Cl 1 UNL1111111111 -0.0415 10 C 3.7950 3.2233 1.3657 C.3 1 UNL1111111111 -0.2040 11 C -0.7733 -0.3995 -0.4622 C.3 1 UNL1111111111 0.0877 12 C -1.3428 -1.3618 0.6112 C.3 1 UNL1111111111 0.0820 13 O -0.8960 -2.6489 0.2029 O.3 1 UNL1111111111 -0.5908 14 C -2.8815 -1.4148 0.6039 C.3 1 UNL1111111111 0.0516 15 O -3.2375 -1.9285 1.8760 O.3 1 UNL1111111111 -0.5688 16 C -3.4989 -0.0090 0.5055 C.3 1 UNL1111111111 0.0604 17 O -4.8644 -0.1296 0.1704 O.3 1 UNL1111111111 -0.5483 18 C -2.8580 0.7422 -0.6762 C.3 1 UNL1111111111 0.0325 19 O -1.4662 0.8369 -0.4216 O.3 1 UNL1111111111 -0.4002 20 C -3.3099 2.2083 -0.7324 C.3 1 UNL1111111111 -0.0142 21 O -2.9236 2.7809 -1.9601 O.3 1 UNL1111111111 -0.5351 22 H 0.5754 -2.5204 -0.6730 H 1 UNL1111111111 0.3574 23 H 0.1988 1.9228 0.6289 H 1 UNL1111111111 0.1916 24 H 4.4007 0.9403 0.3970 H 1 UNL1111111111 0.1806 25 H 4.3730 3.2934 0.4388 H 1 UNL1111111111 0.1365 26 H 3.6286 4.2233 1.7895 H 1 UNL1111111111 0.1527 27 H 4.2856 2.5752 2.0985 H 1 UNL1111111111 0.1347 28 H -0.8794 -0.8446 -1.4832 H 1 UNL1111111111 0.1601 29 H -0.9555 -1.1284 1.6270 H 1 UNL1111111111 0.1577 30 H -0.8771 -3.2671 0.9633 H 1 UNL1111111111 0.3474 31 H -3.2572 -2.0784 -0.2056 H 1 UNL1111111111 0.1516 32 H -3.8565 -2.6777 1.7966 H 1 UNL1111111111 0.3256 33 H -3.3915 0.5441 1.4636 H 1 UNL1111111111 0.1482 34 H -5.3782 -0.4341 0.9472 H 1 UNL1111111111 0.3256 35 H -3.0467 0.2301 -1.6450 H 1 UNL1111111111 0.1557 36 H -4.4154 2.2840 -0.7393 H 1 UNL1111111111 0.1612 37 H -2.8901 2.8038 0.0982 H 1 UNL1111111111 0.1310 38 H -1.9481 2.7167 -2.0642 H 1 UNL1111111111 0.3239 @BOND 1 1 2 1 2 1 8 ar 3 2 22 1 4 3 1 ar 5 4 3 ar 6 4 5 ar 7 4 23 1 8 5 7 ar 9 6 5 1 10 6 10 1 11 7 8 ar 12 7 24 1 13 8 9 1 14 10 25 1 15 10 26 1 16 10 27 1 17 11 3 1 18 11 19 1 19 11 28 1 20 12 11 1 21 12 29 1 22 13 12 1 23 13 30 1 24 14 12 1 25 14 16 1 26 14 31 1 27 15 14 1 28 15 32 1 29 16 18 1 30 16 33 1 31 17 16 1 32 17 34 1 33 18 20 1 34 18 19 1 35 18 35 1 36 20 36 1 37 20 37 1 38 21 20 1 39 21 38 1