@MOLECULE galactose pentaacetate 49 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6517 -1.4159 0.5421 O.3 1 UNL1111111111 -0.4242 2 O -0.5546 2.1497 0.1538 O.3 1 UNL1111111111 -0.4481 3 O 1.9452 0.9901 0.6106 O.3 1 UNL1111111111 -0.4467 4 O -2.9286 -0.4436 -0.4467 O.3 1 UNL1111111111 -0.4116 5 O 2.9633 -0.8964 -1.3484 O.3 1 UNL1111111111 -0.4243 6 O -4.0738 0.7826 1.7465 O.2 1 UNL1111111111 -0.4018 7 O -1.6621 -1.3001 2.5444 O.2 1 UNL1111111111 -0.5169 8 O 0.5638 2.4385 -1.7816 O.2 1 UNL1111111111 -0.5018 9 O 3.8930 0.0077 1.1839 O.2 1 UNL1111111111 -0.5135 10 O -3.8336 0.5258 -2.2670 O.2 1 UNL1111111111 -0.4907 11 O 2.6457 -2.9690 -0.5361 O.2 1 UNL1111111111 -0.5219 12 C -0.1258 -0.1069 0.7106 C.3 1 UNL1111111111 0.0550 13 C -0.9330 0.8265 -0.2123 C.3 1 UNL1111111111 0.0646 14 C 1.3591 -0.2792 0.3234 C.3 1 UNL1111111111 0.0613 15 C -2.4568 0.8119 0.0161 C.3 1 UNL1111111111 -0.0354 16 C 1.5897 -0.5938 -1.1560 C.3 1 UNL1111111111 -0.0667 17 C -2.9107 0.9145 1.4748 C.2 1 UNL1111111111 0.3335 18 C -1.4201 -1.9286 1.5480 C.2 1 UNL1111111111 0.6525 19 C 0.2224 2.8636 -0.7119 C.2 1 UNL1111111111 0.6563 20 C 3.2575 1.0059 0.9710 C.2 1 UNL1111111111 0.6506 21 C -3.6431 -0.4619 -1.6117 C.2 1 UNL1111111111 0.6293 22 C -1.8470 -3.3023 1.1788 C.3 1 UNL1111111111 -0.5039 23 C 3.4020 -2.1137 -0.9173 C.2 1 UNL1111111111 0.6429 24 C 0.4996 4.1985 -0.1140 C.3 1 UNL1111111111 -0.5077 25 C 3.7210 2.4189 1.0655 C.3 1 UNL1111111111 -0.5141 26 C -4.0853 -1.8575 -1.8789 C.3 1 UNL1111111111 -0.5112 27 C 4.8848 -2.1646 -1.0107 C.3 1 UNL1111111111 -0.5137 28 H -0.1907 0.2382 1.7725 H 1 UNL1111111111 0.1758 29 H -0.7221 0.6179 -1.2887 H 1 UNL1111111111 0.1735 30 H 1.8217 -1.0710 0.9677 H 1 UNL1111111111 0.1790 31 H -2.9207 1.6614 -0.5554 H 1 UNL1111111111 0.1872 32 H 1.4588 0.2939 -1.8115 H 1 UNL1111111111 0.1807 33 H 0.9508 -1.4305 -1.4969 H 1 UNL1111111111 0.1614 34 H -2.1498 1.1449 2.2277 H 1 UNL1111111111 0.1394 35 H -1.0533 -3.8558 0.6474 H 1 UNL1111111111 0.1951 36 H -2.1269 -3.8800 2.0741 H 1 UNL1111111111 0.1861 37 H -2.7245 -3.2688 0.5123 H 1 UNL1111111111 0.1861 38 H 0.3974 4.2019 0.9828 H 1 UNL1111111111 0.1872 39 H 1.5152 4.5367 -0.3692 H 1 UNL1111111111 0.1799 40 H -0.2042 4.9503 -0.5095 H 1 UNL1111111111 0.1884 41 H 4.0787 2.7693 0.0825 H 1 UNL1111111111 0.1893 42 H 4.5595 2.5083 1.7744 H 1 UNL1111111111 0.1869 43 H 2.9223 3.1025 1.3883 H 1 UNL1111111111 0.1801 44 H -3.2284 -2.5428 -1.9771 H 1 UNL1111111111 0.1879 45 H -4.6693 -1.9094 -2.8125 H 1 UNL1111111111 0.1878 46 H -4.7218 -2.2390 -1.0639 H 1 UNL1111111111 0.1880 47 H 5.3276 -1.6838 -0.1161 H 1 UNL1111111111 0.2026 48 H 5.2716 -1.6237 -1.8868 H 1 UNL1111111111 0.1830 49 H 5.2464 -3.2026 -1.0485 H 1 UNL1111111111 0.1827 @BOND 1 1 12 1 2 1 18 1 3 2 13 1 4 2 19 1 5 3 14 1 6 3 20 1 7 4 15 1 8 4 21 1 9 5 16 1 10 5 23 1 11 6 17 2 12 7 18 2 13 8 19 2 14 9 20 2 15 10 21 2 16 11 23 2 17 12 13 1 18 12 14 1 19 12 28 1 20 13 15 1 21 13 29 1 22 14 16 1 23 14 30 1 24 15 17 1 25 15 31 1 26 16 32 1 27 16 33 1 28 17 34 1 29 18 22 1 30 19 24 1 31 20 25 1 32 21 26 1 33 22 35 1 34 22 36 1 35 22 37 1 36 23 27 1 37 24 38 1 38 24 39 1 39 24 40 1 40 25 41 1 41 25 42 1 42 25 43 1 43 26 44 1 44 26 45 1 45 26 46 1 46 27 47 1 47 27 48 1 48 27 49 1