@MOLECULE beta-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-d-glucose 66 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.8208 0.1986 0.1996 C.3 1 UNL1 0.0146 2 C 4.1470 -1.3021 0.3774 C.3 1 UNL1 0.0879 3 C 2.8692 -2.1839 0.3986 C.3 1 UNL1 -0.0205 4 C 4.9927 0.9447 -0.4816 C.3 1 UNL1 0.0795 5 C -1.0872 1.5725 0.0562 C.3 1 UNL1 0.0337 6 C -0.4173 2.0848 -1.2365 C.3 1 UNL1 0.0819 7 C 0.7783 1.1822 -1.5720 C.3 1 UNL1 0.0360 8 C 1.7472 1.2078 -0.3710 C.3 1 UNL1 0.2671 9 C -0.0402 1.4566 1.1860 C.3 1 UNL1 0.0509 10 C -2.8341 0.1155 -0.6468 C.3 1 UNL1 0.2674 11 C -3.0833 -1.4088 -0.6542 C.3 1 UNL1 0.0356 12 C -4.5351 -1.6545 -1.0914 C.3 1 UNL1 0.0682 13 C -5.5061 -0.8932 -0.1638 C.3 1 UNL1 0.0658 14 C -5.0819 0.5812 -0.0094 C.3 1 UNL1 0.0499 15 C 4.8952 2.4671 -0.3018 C.3 1 UNL1 -0.0307 16 C -5.7611 1.2142 1.2174 C.3 1 UNL1 -0.0006 17 C -0.5990 0.6426 2.3652 C.3 1 UNL1 -0.0020 18 H 3.1097 -3.6766 -0.8745 H 1 UNL1 0.3370 19 H -5.4542 -2.4248 1.0759 H 1 UNL1 0.3407 20 H -4.1598 -3.5772 -1.3248 H 1 UNL1 0.3463 21 H 2.1767 1.2350 -2.9588 H 1 UNL1 0.3372 22 H 6.4253 -0.3455 -0.0643 H 1 UNL1 0.3475 23 H -1.3399 -1.8334 -1.4737 H 1 UNL1 0.3412 24 H -0.9564 2.0931 -3.1317 H 1 UNL1 0.3418 25 H 4.4970 -1.8984 -1.4741 H 1 UNL1 0.3505 26 H -4.7190 2.8789 1.0694 H 1 UNL1 0.3207 27 H 1.0708 0.8171 3.3987 H 1 UNL1 0.3183 28 H 5.2479 2.4594 1.6344 H 1 UNL1 0.3304 29 O 3.2754 -4.3815 1.1922 O.2 1 UNL1 -0.4062 30 O 2.6999 -2.7731 -0.8672 O.3 1 UNL1 -0.5164 31 O -5.4915 -1.4406 1.1358 O.3 1 UNL1 -0.5408 32 O -4.8707 -3.0183 -0.9330 O.3 1 UNL1 -0.5628 33 O 1.4002 1.7752 -2.6918 O.3 1 UNL1 -0.5597 34 O 6.2004 0.5885 0.1583 O.3 1 UNL1 -0.5700 35 O -2.2897 -2.0215 -1.6463 O.3 1 UNL1 -0.5597 36 O -1.3929 2.0213 -2.2508 O.3 1 UNL1 -0.5534 37 O 5.0117 -1.7251 -0.6460 O.3 1 UNL1 -0.5609 38 O -5.6606 2.6193 1.1412 O.3 1 UNL1 -0.5483 39 O 0.1125 0.9601 3.5404 O.3 1 UNL1 -0.5431 40 O 4.5488 2.7888 1.0273 O.3 1 UNL1 -0.5523 41 O -1.5366 0.2410 -0.1220 O.3 1 UNL1 -0.4023 42 O 2.7294 0.2668 -0.7078 O.3 1 UNL1 -0.4136 43 C 3.0125 -3.2428 1.4842 C.2 1 UNL1 0.2858 44 O 1.0883 0.6977 0.7802 O.3 1 UNL1 -0.4729 45 O -3.7043 0.7167 0.2988 O.3 1 UNL1 -0.4704 46 H -2.9278 0.6155 -1.6320 H 1 UNL1 0.1526 47 H 3.5616 0.6561 1.1802 H 1 UNL1 0.1616 48 H 4.7694 -1.4380 1.2952 H 1 UNL1 0.1508 49 H 1.9404 -1.5728 0.5293 H 1 UNL1 0.1946 50 H 5.8548 2.9544 -0.5583 H 1 UNL1 0.1388 51 H 4.0803 2.9071 -0.9048 H 1 UNL1 0.1446 52 H 5.0515 0.6755 -1.5602 H 1 UNL1 0.1366 53 H -1.9285 2.2388 0.3505 H 1 UNL1 0.1618 54 H -0.1070 3.1525 -1.1421 H 1 UNL1 0.1426 55 H 0.4644 0.1459 -1.8264 H 1 UNL1 0.1656 56 H 2.1850 2.2010 -0.1400 H 1 UNL1 0.1374 57 H 0.3063 2.4623 1.5150 H 1 UNL1 0.1449 58 H -2.8586 -1.8657 0.3349 H 1 UNL1 0.1630 59 H -4.6835 -1.3910 -2.1631 H 1 UNL1 0.1453 60 H -6.5510 -0.9743 -0.5440 H 1 UNL1 0.1425 61 H -5.2912 1.1576 -0.9390 H 1 UNL1 0.1391 62 H -6.8481 1.0229 1.2397 H 1 UNL1 0.1503 63 H -5.2991 0.8558 2.1579 H 1 UNL1 0.1523 64 H -1.6449 0.9158 2.6013 H 1 UNL1 0.1589 65 H -0.5345 -0.4449 2.1738 H 1 UNL1 0.1450 66 H 2.8710 -2.9286 2.5224 H 1 UNL1 0.1227 @BOND 1 24 36 1 2 21 33 1 3 33 7 1 4 36 6 1 5 59 12 1 6 55 7 1 7 35 23 1 8 35 11 1 9 46 10 1 10 7 6 1 11 7 8 1 12 52 4 1 13 25 37 1 14 20 32 1 15 6 54 1 16 6 5 1 17 12 32 1 18 12 11 1 19 12 13 1 20 61 14 1 21 51 15 1 22 18 30 1 23 30 3 1 24 42 8 1 25 42 1 1 26 11 10 1 27 11 58 1 28 10 41 1 29 10 45 1 30 37 2 1 31 50 15 1 32 60 13 1 33 4 15 1 34 4 34 1 35 4 1 1 36 8 56 1 37 8 44 1 38 15 40 1 39 13 14 1 40 13 31 1 41 41 5 1 42 22 34 1 43 14 45 1 44 14 16 1 45 5 53 1 46 5 9 1 47 1 2 1 48 1 47 1 49 2 3 1 50 2 48 1 51 3 49 1 52 3 43 1 53 44 9 1 54 40 28 1 55 26 38 1 56 19 31 1 57 38 16 1 58 9 57 1 59 9 17 1 60 29 43 2 61 16 62 1 62 16 63 1 63 43 66 1 64 65 17 1 65 17 64 1 66 17 39 1 67 27 39 1