@MOLECULE dehydrosydonic acid 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2652 -2.0899 1.7011 O.3 1 UNL1111111111 -0.5840 2 O 0.3754 -1.4604 -2.0828 O.3 1 UNL1111111111 -0.4794 3 O 4.2587 1.6837 1.2124 O.3 1 UNL1111111111 -0.5536 4 O 4.4373 1.5274 -0.9993 O.2 1 UNL1111111111 -0.5055 5 C -0.9370 -2.0258 0.3179 C.3 1 UNL1111111111 0.3443 6 C -2.1012 -1.3569 -0.4390 C.3 1 UNL1111111111 -0.3398 7 C -2.4066 0.0256 0.1430 C.3 1 UNL1111111111 -0.2521 8 C 0.3209 -1.1926 0.2540 C.ar 1 UNL1111111111 -0.0802 9 C -0.6855 -3.4546 -0.1730 C.3 1 UNL1111111111 -0.5040 10 C -3.4963 0.7346 -0.6736 C.3 1 UNL1111111111 -0.3018 11 C 0.9482 -0.9169 -0.9739 C.ar 1 UNL1111111111 0.2463 12 C 0.8845 -0.6587 1.4086 C.ar 1 UNL1111111111 -0.1020 13 C -3.7305 2.1091 -0.1164 C.2 1 UNL1111111111 0.0851 14 C 2.0921 -0.1288 -1.0607 C.ar 1 UNL1111111111 -0.2472 15 C 2.0332 0.1348 1.3489 C.ar 1 UNL1111111111 -0.1386 16 C 2.6269 0.3974 0.1185 C.ar 1 UNL1111111111 -0.0786 17 C -2.7926 3.1660 -0.5986 C.3 1 UNL1111111111 -0.4632 18 C -4.7106 2.3619 0.7541 C.2 1 UNL1111111111 -0.3973 19 C 3.8351 1.2316 0.0018 C.2 1 UNL1111111111 0.6391 20 H -1.8444 -1.2749 -1.5141 H 1 UNL1111111111 0.1675 21 H -2.9994 -1.9985 -0.3943 H 1 UNL1111111111 0.1430 22 H -2.7189 -0.0645 1.2020 H 1 UNL1111111111 0.1517 23 H -1.4869 0.6431 0.1626 H 1 UNL1111111111 0.1470 24 H 0.1071 -3.9313 0.4183 H 1 UNL1111111111 0.1649 25 H -0.3693 -3.4695 -1.2236 H 1 UNL1111111111 0.1724 26 H -1.5807 -4.0769 -0.0851 H 1 UNL1111111111 0.1496 27 H -3.1976 0.7915 -1.7390 H 1 UNL1111111111 0.1464 28 H -4.4288 0.1371 -0.6601 H 1 UNL1111111111 0.1458 29 H 0.4205 -0.8600 2.3806 H 1 UNL1111111111 0.1874 30 H -2.1154 -2.5445 1.8364 H 1 UNL1111111111 0.3240 31 H 2.5667 0.0788 -2.0181 H 1 UNL1111111111 0.1818 32 H 2.4573 0.5479 2.2663 H 1 UNL1111111111 0.1795 33 H -1.7435 2.8591 -0.4763 H 1 UNL1111111111 0.1589 34 H -2.9479 3.3741 -1.6669 H 1 UNL1111111111 0.1564 35 H -2.9159 4.1162 -0.0624 H 1 UNL1111111111 0.1544 36 H -5.3986 1.6157 1.1124 H 1 UNL1111111111 0.1465 37 H -4.8995 3.3336 1.1773 H 1 UNL1111111111 0.1476 38 H 0.8658 -1.2210 -2.9075 H 1 UNL1111111111 0.3319 39 H 5.0715 2.2452 1.1539 H 1 UNL1111111111 0.3558 @BOND 1 1 5 1 2 1 30 1 3 2 11 1 4 2 38 1 5 3 19 1 6 3 39 1 7 4 19 2 8 5 6 1 9 5 8 1 10 5 9 1 11 6 7 1 12 6 20 1 13 6 21 1 14 7 10 1 15 7 22 1 16 7 23 1 17 8 11 ar 18 8 12 ar 19 9 24 1 20 9 25 1 21 9 26 1 22 10 13 1 23 10 27 1 24 10 28 1 25 11 14 ar 26 12 15 ar 27 12 29 1 28 13 17 1 29 13 18 2 30 14 16 ar 31 14 31 1 32 15 16 ar 33 15 32 1 34 16 19 1 35 17 33 1 36 17 34 1 37 17 35 1 38 18 36 1 39 18 37 1