@MOLECULE b-iso-maltose 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5208 -0.1394 1.4703 O.3 1 UNL1111111111 -0.4366 2 O 2.4445 -0.6187 1.2846 O.3 1 UNL1111111111 -0.4762 3 O -0.3563 -0.8130 0.9593 O.3 1 UNL1111111111 -0.4711 4 O 0.4837 2.0153 -0.3027 O.3 1 UNL1111111111 -0.5437 5 O -1.1307 -3.0907 -0.1735 O.3 1 UNL1111111111 -0.5384 6 O -2.9217 -1.9074 -2.1812 O.3 1 UNL1111111111 -0.5663 7 O -3.1123 0.9286 -1.9113 O.3 1 UNL1111111111 -0.5531 8 O 2.4731 1.2643 -2.3092 O.3 1 UNL1111111111 -0.5566 9 O 4.9741 0.6285 -0.9201 O.3 1 UNL1111111111 -0.5377 10 O 4.3183 -1.7003 0.7918 O.3 1 UNL1111111111 -0.5168 11 O -2.8878 2.9840 1.2906 O.3 1 UNL1111111111 -0.5438 12 C 1.5733 0.4899 1.2488 C.3 1 UNL1111111111 0.0652 13 C 1.3236 0.8911 -0.2170 C.3 1 UNL1111111111 0.0486 14 C -2.0818 -2.0894 0.0820 C.3 1 UNL1111111111 0.0334 15 C -2.2431 -1.2020 -1.1619 C.3 1 UNL1111111111 0.0515 16 C -1.6594 -1.2233 1.2952 C.3 1 UNL1111111111 0.2692 17 C -3.1635 -0.0063 -0.8537 C.3 1 UNL1111111111 0.0764 18 C 2.6577 1.2019 -0.9096 C.3 1 UNL1111111111 0.0377 19 C -2.6208 0.7582 0.3702 C.3 1 UNL1111111111 0.0353 20 C 3.6900 0.0784 -0.7094 C.3 1 UNL1111111111 0.0331 21 C 0.2997 -0.0217 1.9399 C.3 1 UNL1111111111 -0.0335 22 C 3.7491 -0.4283 0.7536 C.3 1 UNL1111111111 0.3395 23 C -3.5906 1.8398 0.8552 C.3 1 UNL1111111111 -0.0164 24 H 2.0214 1.3255 1.8329 H 1 UNL1111111111 0.1294 25 H 0.7470 0.1118 -0.7732 H 1 UNL1111111111 0.1845 26 H -3.0130 -2.6614 0.3037 H 1 UNL1111111111 0.1709 27 H -1.2597 -0.8746 -1.5653 H 1 UNL1111111111 0.1479 28 H -1.6895 -1.7415 2.2758 H 1 UNL1111111111 0.1465 29 H -4.2181 -0.3329 -0.7291 H 1 UNL1111111111 0.1467 30 H 3.0747 2.1843 -0.5869 H 1 UNL1111111111 0.1418 31 H -1.6130 1.1848 0.1467 H 1 UNL1111111111 0.1740 32 H 3.5199 -0.7577 -1.4238 H 1 UNL1111111111 0.1577 33 H -0.3549 0.8129 2.2525 H 1 UNL1111111111 0.1524 34 H 0.5455 -0.6654 2.8060 H 1 UNL1111111111 0.1447 35 H 4.3722 0.1966 1.4265 H 1 UNL1111111111 0.1535 36 H -4.1460 1.5189 1.7609 H 1 UNL1111111111 0.1606 37 H -4.3022 2.1444 0.0602 H 1 UNL1111111111 0.1415 38 H 0.8510 2.7866 0.1772 H 1 UNL1111111111 0.3155 39 H -0.2175 -2.7279 -0.0791 H 1 UNL1111111111 0.3370 40 H -2.5177 -2.7941 -2.3019 H 1 UNL1111111111 0.3388 41 H -3.2614 0.4644 -2.7666 H 1 UNL1111111111 0.3396 42 H 1.6291 1.7254 -2.5182 H 1 UNL1111111111 0.3378 43 H 5.0633 0.9059 -1.8585 H 1 UNL1111111111 0.3329 44 H 3.6380 -2.3933 0.6325 H 1 UNL1111111111 0.3317 45 H -2.2575 3.2766 0.6013 H 1 UNL1111111111 0.3150 @BOND 1 1 16 1 2 1 19 1 3 2 12 1 4 2 22 1 5 3 16 1 6 3 21 1 7 4 13 1 8 4 38 1 9 5 14 1 10 5 39 1 11 6 15 1 12 6 40 1 13 7 17 1 14 7 41 1 15 8 18 1 16 8 42 1 17 9 20 1 18 9 43 1 19 10 22 1 20 10 44 1 21 11 23 1 22 11 45 1 23 12 13 1 24 12 21 1 25 12 24 1 26 13 18 1 27 13 25 1 28 14 15 1 29 14 16 1 30 14 26 1 31 15 17 1 32 15 27 1 33 16 28 1 34 17 19 1 35 17 29 1 36 18 20 1 37 18 30 1 38 19 23 1 39 19 31 1 40 20 22 1 41 20 32 1 42 21 33 1 43 21 34 1 44 22 35 1 45 23 36 1 46 23 37 1