@MOLECULE methyl 6-deoxy-6-fluoro-alpha-d-glucopyranosyl-(1->6)-alpha-d-glucopyranosyl-(1->6)-alpha-d-glucopyranoside 68 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.2396 1.9436 -1.5043 C.3 1 UNL1 0.2764 2 C -1.2548 1.4593 0.8218 C.3 1 UNL1 0.0646 3 C -1.4037 3.4665 -1.2751 C.3 1 UNL1 0.0361 4 C -1.4576 2.9357 1.2088 C.3 1 UNL1 0.0769 5 C -0.8547 3.8385 0.1134 C.3 1 UNL1 0.0489 6 C 1.9192 0.3657 -0.9462 C.3 1 UNL1 0.0743 7 C -1.9527 -1.9122 1.8091 C.3 1 UNL1 0.2727 8 C 2.9485 -0.5684 -1.6150 C.3 1 UNL1 0.0778 9 C -0.9226 -2.9988 1.3999 C.3 1 UNL1 0.0395 10 C 4.1946 -0.6616 -0.7131 C.3 1 UNL1 0.0481 11 C -0.7171 -2.9822 -0.1237 C.3 1 UNL1 0.0474 12 C 3.8009 -1.1066 0.7058 C.3 1 UNL1 0.0329 13 C -2.0606 -3.0148 -0.8704 C.3 1 UNL1 0.0700 14 C 2.6507 -0.2207 1.2445 C.3 1 UNL1 0.2662 15 C -2.9691 -1.8841 -0.3484 C.3 1 UNL1 0.0503 16 C -1.9915 0.4904 1.7499 C.3 1 UNL1 -0.0401 17 C 0.6022 0.4262 -1.7226 C.3 1 UNL1 -0.0376 18 C -4.3944 -2.0283 -0.8959 C.3 1 UNL1 -0.0774 19 C 2.4413 1.9592 2.1542 C.3 1 UNL1 -0.1769 20 H 0.1755 3.8295 -2.4069 H 1 UNL1 0.3376 21 H -0.7013 4.0570 2.6423 H 1 UNL1 0.3409 22 H -1.1302 5.7517 -0.2998 H 1 UNL1 0.3400 23 H 4.0866 -0.3521 -3.2093 H 1 UNL1 0.3399 24 H 0.6385 -1.8647 1.7970 H 1 UNL1 0.3359 25 H 5.7255 -1.9129 -0.7123 H 1 UNL1 0.3393 26 H 0.7339 -4.3153 0.0301 H 1 UNL1 0.3381 27 H 5.1183 -0.1047 1.7884 H 1 UNL1 0.3344 28 H -1.1502 -3.2948 -2.5970 H 1 UNL1 0.3394 29 O -0.7262 4.2017 -2.2596 O.3 1 UNL1 -0.5400 30 O -0.7262 3.1011 2.4067 O.3 1 UNL1 -0.5656 31 O -1.2612 5.1462 0.4638 O.3 1 UNL1 -0.5701 32 O 3.2737 0.0594 -2.8353 O.3 1 UNL1 -0.5500 33 O 0.3099 -2.7677 2.0318 O.3 1 UNL1 -0.5390 34 O 5.0008 -1.6492 -1.3219 O.3 1 UNL1 -0.5661 35 O -0.0534 -4.1607 -0.5371 O.3 1 UNL1 -0.5689 36 O 4.9197 -1.0403 1.5494 O.3 1 UNL1 -0.5357 37 O -1.8546 -2.7100 -2.2348 O.3 1 UNL1 -0.5586 38 O 0.1525 1.7644 -1.5340 O.3 1 UNL1 -0.4776 39 O -1.2651 -0.7184 1.5633 O.3 1 UNL1 -0.4651 40 O 3.2285 1.0473 1.4038 O.3 1 UNL1 -0.4429 41 O -1.8393 1.2380 -0.4562 O.3 1 UNL1 -0.4424 42 O 1.5892 -0.1839 0.3260 O.3 1 UNL1 -0.4661 43 O -3.1265 -2.0263 1.0559 O.3 1 UNL1 -0.4390 44 F -5.0924 -0.9099 -0.5716 F 1 UNL1 -0.2012 45 H -1.7331 1.5431 -2.4127 H 1 UNL1 0.1517 46 H -0.1656 1.1993 0.7793 H 1 UNL1 0.1839 47 H -2.4661 3.7802 -1.3967 H 1 UNL1 0.1720 48 H -2.5217 3.1909 1.4033 H 1 UNL1 0.1497 49 H 0.2585 3.8107 0.1332 H 1 UNL1 0.1480 50 H 2.3388 1.3920 -0.8074 H 1 UNL1 0.1717 51 H -2.3134 -1.9748 2.8553 H 1 UNL1 0.1453 52 H 2.5363 -1.5762 -1.8399 H 1 UNL1 0.1475 53 H -1.2268 -4.0021 1.7714 H 1 UNL1 0.1660 54 H 4.7650 0.2940 -0.7025 H 1 UNL1 0.1488 55 H -0.0958 -2.1084 -0.4369 H 1 UNL1 0.1570 56 H 3.5231 -2.1865 0.7322 H 1 UNL1 0.1712 57 H -2.5346 -4.0182 -0.8013 H 1 UNL1 0.1456 58 H 2.1770 -0.5935 2.1767 H 1 UNL1 0.1437 59 H -2.5278 -0.8832 -0.5781 H 1 UNL1 0.1841 60 H -1.8940 0.7846 2.8114 H 1 UNL1 0.1471 61 H -3.0554 0.3685 1.4756 H 1 UNL1 0.1585 62 H 0.7625 0.2938 -2.8109 H 1 UNL1 0.1578 63 H -0.1397 -0.3051 -1.3498 H 1 UNL1 0.1560 64 H -4.3720 -2.1374 -2.0076 H 1 UNL1 0.1563 65 H -4.9121 -2.9105 -0.4516 H 1 UNL1 0.1452 66 H 1.4468 2.0854 1.7069 H 1 UNL1 0.1493 67 H 2.3559 1.6252 3.1929 H 1 UNL1 0.1293 68 H 3.0135 2.8925 2.0893 H 1 UNL1 0.1474 @BOND 1 23 32 1 2 32 8 1 3 62 17 1 4 28 37 1 5 45 1 1 6 20 29 1 7 29 3 1 8 37 13 1 9 64 18 1 10 52 8 1 11 17 38 1 12 17 63 1 13 17 6 1 14 8 6 1 15 8 10 1 16 38 1 1 17 1 3 1 18 1 41 1 19 47 3 1 20 34 10 1 21 34 25 1 22 3 5 1 23 6 50 1 24 6 42 1 25 18 44 1 26 18 65 1 27 18 15 1 28 13 57 1 29 13 15 1 30 13 11 1 31 10 54 1 32 10 12 1 33 59 15 1 34 35 11 1 35 35 26 1 36 41 2 1 37 55 11 1 38 15 43 1 39 22 31 1 40 11 9 1 41 5 49 1 42 5 31 1 43 5 4 1 44 42 14 1 45 12 56 1 46 12 14 1 47 12 36 1 48 46 2 1 49 2 4 1 50 2 16 1 51 43 7 1 52 4 48 1 53 4 30 1 54 14 40 1 55 14 58 1 56 9 53 1 57 9 7 1 58 9 33 1 59 40 19 1 60 61 16 1 61 36 27 1 62 39 16 1 63 39 7 1 64 66 19 1 65 16 60 1 66 24 33 1 67 7 51 1 68 68 19 1 69 19 67 1 70 30 21 1