@MOLECULE beta-d-fructofuranosyl 6-chloro-6-deoxy-alpha-d-glucopyranoside 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.1623 -2.8021 0.5965 Cl 1 UNL1111111111 -0.1429 2 O -1.5433 -0.8804 -0.0011 O.3 1 UNL1111111111 -0.4200 3 O -0.4940 1.0936 0.6419 O.3 1 UNL1111111111 -0.4457 4 O 0.9650 -0.1882 -0.4935 O.3 1 UNL1111111111 -0.4186 5 O -2.5620 2.4160 0.4646 O.3 1 UNL1111111111 -0.5178 6 O -4.5383 0.2086 -0.9581 O.3 1 UNL1111111111 -0.5515 7 O 1.3952 2.6067 -0.4828 O.3 1 UNL1111111111 -0.5535 8 O 3.5719 0.6752 1.6142 O.3 1 UNL1111111111 -0.5683 9 O 3.1659 1.1310 -1.9090 O.3 1 UNL1111111111 -0.5408 10 O -2.8182 -0.9813 2.5167 O.3 1 UNL1111111111 -0.5223 11 O -0.5319 -1.6778 -2.4766 O.3 1 UNL1111111111 -0.5363 12 C -1.5874 0.2369 0.8485 C.3 1 UNL1111111111 0.3793 13 C -2.8598 1.0448 0.4545 C.3 1 UNL1111111111 0.0732 14 C -3.1755 0.5705 -0.9851 C.3 1 UNL1111111111 0.0462 15 C -2.2814 -0.6628 -1.2040 C.3 1 UNL1111111111 0.0127 16 C 0.8006 0.5604 0.6990 C.3 1 UNL1111111111 0.2751 17 C 1.7010 1.8190 0.6518 C.3 1 UNL1111111111 0.0392 18 C 3.1700 1.3883 0.4640 C.3 1 UNL1111111111 0.0695 19 C 3.3164 0.4039 -0.7191 C.3 1 UNL1111111111 0.0874 20 C 2.2534 -0.7177 -0.6947 C.3 1 UNL1111111111 0.0507 21 C -1.5912 -0.3352 2.2791 C.3 1 UNL1111111111 -0.0655 22 C -1.2778 -0.4886 -2.3504 C.3 1 UNL1111111111 -0.0379 23 C 2.5996 -1.7959 0.3245 C.3 1 UNL1111111111 -0.2486 24 H -3.7005 0.8216 1.1542 H 1 UNL1111111111 0.1751 25 H -3.0250 1.3749 -1.7321 H 1 UNL1111111111 0.1452 26 H -2.8638 -1.6053 -1.3176 H 1 UNL1111111111 0.1672 27 H 0.9601 -0.0782 1.5876 H 1 UNL1111111111 0.1319 28 H 1.5545 2.4508 1.5533 H 1 UNL1111111111 0.1434 29 H 3.8241 2.2746 0.3033 H 1 UNL1111111111 0.1510 30 H 4.3471 -0.0109 -0.7772 H 1 UNL1111111111 0.1602 31 H 2.1361 -1.1429 -1.7292 H 1 UNL1111111111 0.1813 32 H -1.5562 0.4715 3.0351 H 1 UNL1111111111 0.1631 33 H -0.7630 -1.0496 2.4387 H 1 UNL1111111111 0.1427 34 H -0.5909 0.3600 -2.1693 H 1 UNL1111111111 0.1420 35 H -1.7739 -0.3771 -3.3304 H 1 UNL1111111111 0.1401 36 H -3.3953 2.9358 0.4354 H 1 UNL1111111111 0.3206 37 H 2.8929 -1.3929 1.3104 H 1 UNL1111111111 0.1826 38 H 3.4004 -2.4629 -0.0340 H 1 UNL1111111111 0.1644 39 H -4.8388 -0.1002 -1.8362 H 1 UNL1111111111 0.3230 40 H 0.4118 2.6161 -0.6077 H 1 UNL1111111111 0.3564 41 H 3.8197 1.2815 2.3395 H 1 UNL1111111111 0.3290 42 H 2.3425 1.6844 -1.8486 H 1 UNL1111111111 0.3517 43 H -2.9541 -1.6914 1.8461 H 1 UNL1111111111 0.3285 44 H -0.0294 -1.8132 -1.6370 H 1 UNL1111111111 0.3371 @BOND 1 1 23 1 2 2 12 1 3 2 15 1 4 3 12 1 5 3 16 1 6 4 16 1 7 4 20 1 8 5 13 1 9 5 36 1 10 6 14 1 11 6 39 1 12 7 17 1 13 7 40 1 14 8 18 1 15 8 41 1 16 9 19 1 17 9 42 1 18 10 21 1 19 10 43 1 20 11 22 1 21 11 44 1 22 12 13 1 23 12 21 1 24 13 14 1 25 13 24 1 26 14 15 1 27 14 25 1 28 15 22 1 29 15 26 1 30 16 17 1 31 16 27 1 32 17 18 1 33 17 28 1 34 18 19 1 35 18 29 1 36 19 20 1 37 19 30 1 38 20 23 1 39 20 31 1 40 21 32 1 41 21 33 1 42 22 34 1 43 22 35 1 44 23 37 1 45 23 38 1