@MOLECULE b-maltotriose 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.6837 -1.3783 0.1422 C.3 1 UNL1111111111 0.3171 2 C 5.7389 0.0419 -0.4652 C.3 1 UNL1111111111 0.0010 3 C 4.4870 0.8554 -0.1002 C.3 1 UNL1111111111 0.0838 4 C 3.1903 0.0477 -0.3098 C.3 1 UNL1111111111 0.0506 5 C 3.3103 -1.3783 0.2704 C.3 1 UNL1111111111 0.0556 6 C 2.1725 -2.3018 -0.1902 C.3 1 UNL1111111111 -0.0163 7 O 6.7159 -2.1439 -0.3962 O.3 1 UNL1111111111 -0.5530 8 O 6.8059 0.7503 0.1292 O.3 1 UNL1111111111 -0.5536 9 O 4.3752 1.9400 -1.0006 O.3 1 UNL1111111111 -0.5665 10 O 2.1678 0.6357 0.4790 O.3 1 UNL1111111111 -0.4739 11 O 4.4727 -1.9978 -0.2508 O.3 1 UNL1111111111 -0.4828 12 O 1.8330 -3.1823 0.8543 O.3 1 UNL1111111111 -0.5335 13 C 1.5513 1.7659 -0.1027 C.3 1 UNL1111111111 0.2742 14 C 0.7558 2.4170 1.0497 C.3 1 UNL1111111111 0.0262 15 C -0.4886 1.5964 1.4360 C.3 1 UNL1111111111 0.0644 16 C -1.2770 1.1356 0.1936 C.3 1 UNL1111111111 0.0601 17 C -0.3091 0.4466 -0.7861 C.3 1 UNL1111111111 0.0314 18 C -0.9393 0.0840 -2.1362 C.3 1 UNL1111111111 -0.0153 19 O 1.5629 2.5802 2.1880 O.3 1 UNL1111111111 -0.5362 20 O -1.3789 2.4393 2.1399 O.3 1 UNL1111111111 -0.5690 21 O -2.1702 0.1057 0.5789 O.3 1 UNL1111111111 -0.4723 22 O 0.7071 1.3748 -1.1435 O.3 1 UNL1111111111 -0.4409 23 O -0.0250 -0.7038 -2.8684 O.3 1 UNL1111111111 -0.5356 24 C -3.3967 0.5561 1.1185 C.3 1 UNL1111111111 0.2786 25 C -4.0117 -0.7079 1.7634 C.3 1 UNL1111111111 0.0298 26 C -4.4144 -1.7280 0.6859 C.3 1 UNL1111111111 0.0504 27 C -5.2672 -1.0488 -0.4029 C.3 1 UNL1111111111 0.0757 28 C -4.5031 0.1660 -0.9603 C.3 1 UNL1111111111 0.0427 29 C -5.3602 0.9971 -1.9212 C.3 1 UNL1111111111 -0.0159 30 O -3.1151 -1.3088 2.6601 O.3 1 UNL1111111111 -0.5356 31 O -5.2667 -2.7074 1.2448 O.3 1 UNL1111111111 -0.5708 32 O -5.4277 -1.9161 -1.5035 O.3 1 UNL1111111111 -0.5507 33 O -4.2179 1.0630 0.1077 O.3 1 UNL1111111111 -0.4526 34 O -4.5708 2.0051 -2.5158 O.3 1 UNL1111111111 -0.5401 35 H 5.8956 0.0113 -1.5656 H 1 UNL1111111111 0.1552 36 H 4.5558 1.2639 0.9351 H 1 UNL1111111111 0.1549 37 H 2.8994 0.0434 -1.3839 H 1 UNL1111111111 0.1632 38 H 3.3652 -1.3511 1.3839 H 1 UNL1111111111 0.1559 39 H 1.2280 -1.7452 -0.3720 H 1 UNL1111111111 0.1640 40 H 2.4448 -2.8708 -1.0985 H 1 UNL1111111111 0.1415 41 H 7.6438 0.2436 0.0293 H 1 UNL1111111111 0.3381 42 H 5.1938 2.4844 -0.9746 H 1 UNL1111111111 0.3407 43 H 2.5564 -3.8235 1.0150 H 1 UNL1111111111 0.3188 44 H 2.2826 2.4437 -0.5999 H 1 UNL1111111111 0.1787 45 H 0.4705 3.4637 0.7802 H 1 UNL1111111111 0.1732 46 H -0.2278 0.7353 2.0913 H 1 UNL1111111111 0.1494 47 H -1.8322 1.9777 -0.2724 H 1 UNL1111111111 0.1607 48 H 0.1540 -0.4551 -0.3142 H 1 UNL1111111111 0.1596 49 H -1.8184 -0.5792 -2.0153 H 1 UNL1111111111 0.1604 50 H -1.2125 0.9773 -2.7267 H 1 UNL1111111111 0.1396 51 H 2.1241 1.7804 2.3208 H 1 UNL1111111111 0.3336 52 H -0.9113 2.8781 2.8851 H 1 UNL1111111111 0.3390 53 H 0.8240 -0.2202 -2.9644 H 1 UNL1111111111 0.3194 54 H -3.2730 1.4187 1.8116 H 1 UNL1111111111 0.1784 55 H -4.8805 -0.4360 2.4085 H 1 UNL1111111111 0.1685 56 H -3.5295 -2.2488 0.2536 H 1 UNL1111111111 0.1544 57 H -6.2747 -0.7813 -0.0155 H 1 UNL1111111111 0.1451 58 H -3.5500 -0.1459 -1.4449 H 1 UNL1111111111 0.1570 59 H -5.7061 0.3847 -2.7782 H 1 UNL1111111111 0.1650 60 H -6.2218 1.4656 -1.4146 H 1 UNL1111111111 0.1287 61 H -2.2077 -1.3408 2.2728 H 1 UNL1111111111 0.3362 62 H -4.8929 -3.0321 2.0942 H 1 UNL1111111111 0.3403 63 H -5.7432 -2.7932 -1.1855 H 1 UNL1111111111 0.3397 64 H -4.1267 2.5285 -1.8148 H 1 UNL1111111111 0.3201 65 H 5.8281 -1.4181 1.2416 H 1 UNL1111111111 0.1475 66 H 6.4343 -2.6056 -1.2193 H 1 UNL1111111111 0.3462 @BOND 1 1 11 1 2 1 65 1 3 2 3 1 4 2 8 1 5 2 1 1 6 2 35 1 7 3 36 1 8 4 3 1 9 4 5 1 10 4 37 1 11 5 6 1 12 5 38 1 13 6 39 1 14 6 40 1 15 7 1 1 16 7 66 1 17 8 41 1 18 9 3 1 19 9 42 1 20 10 4 1 21 11 5 1 22 12 6 1 23 12 43 1 24 13 10 1 25 13 44 1 26 14 13 1 27 14 19 1 28 14 15 1 29 14 45 1 30 15 46 1 31 16 17 1 32 16 15 1 33 16 21 1 34 16 47 1 35 17 48 1 36 18 23 1 37 18 17 1 38 18 49 1 39 18 50 1 40 19 51 1 41 20 15 1 42 20 52 1 43 22 13 1 44 22 17 1 45 23 53 1 46 24 25 1 47 24 33 1 48 24 21 1 49 24 54 1 50 25 26 1 51 25 55 1 52 26 27 1 53 26 31 1 54 26 56 1 55 27 32 1 56 27 57 1 57 28 27 1 58 28 29 1 59 28 58 1 60 29 34 1 61 29 59 1 62 29 60 1 63 30 25 1 64 30 61 1 65 31 62 1 66 32 63 1 67 33 28 1 68 34 64 1