@MOLECULE 2-hydroxydodecanedioic acid 39 38 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.7084 1.4983 -0.0503 O.3 1 UNL111111111 -0.5175 2 O 5.7087 -1.9981 0.3067 O.3 1 UNL111111111 -0.5589 3 O -7.2454 -0.3817 1.1205 O.3 1 UNL111111111 -0.5765 4 O 5.3091 -0.8198 -1.5495 O.2 1 UNL111111111 -0.5023 5 O -5.9484 -1.7145 -0.1005 O.2 1 UNL111111111 -0.5048 6 C 0.3809 0.5081 -0.2677 C.3 1 UNL111111111 -0.2729 7 C -1.0128 0.5451 0.3713 C.3 1 UNL111111111 -0.2730 8 C 1.4726 0.4619 0.8087 C.3 1 UNL111111111 -0.2699 9 C -2.1001 0.5944 -0.7102 C.3 1 UNL111111111 -0.2702 10 C 2.8623 0.5142 0.1616 C.3 1 UNL111111111 -0.2730 11 C -3.4925 0.6098 -0.0678 C.3 1 UNL111111111 -0.2741 12 C 3.9582 0.3867 1.2237 C.3 1 UNL111111111 -0.3226 13 C -4.5826 0.6253 -1.1468 C.3 1 UNL111111111 -0.2554 14 C 5.3639 0.3178 0.6193 C.3 1 UNL111111111 0.0911 15 C -5.9814 0.6945 -0.5275 C.3 1 UNL111111111 -0.3474 16 C 5.4528 -0.8458 -0.3571 C.2 1 UNL111111111 0.5888 17 C -6.3333 -0.6001 0.1320 C.2 1 UNL111111111 0.6496 18 H 0.5227 1.3938 -0.9148 H 1 UNL111111111 0.1373 19 H 0.4687 -0.3713 -0.9341 H 1 UNL111111111 0.1413 20 H -1.1026 1.4215 1.0393 H 1 UNL111111111 0.1351 21 H -1.1589 -0.3434 1.0137 H 1 UNL111111111 0.1400 22 H 1.3491 1.3055 1.5131 H 1 UNL111111111 0.1373 23 H 1.3658 -0.4585 1.4133 H 1 UNL111111111 0.1391 24 H -1.9625 1.4888 -1.3461 H 1 UNL111111111 0.1351 25 H -2.0036 -0.2773 -1.3845 H 1 UNL111111111 0.1421 26 H 2.9503 -0.2938 -0.5920 H 1 UNL111111111 0.1487 27 H 2.9810 1.4622 -0.3975 H 1 UNL111111111 0.1410 28 H -3.5949 1.4869 0.5970 H 1 UNL111111111 0.1364 29 H -3.6172 -0.2816 0.5788 H 1 UNL111111111 0.1479 30 H 3.7821 -0.5087 1.8539 H 1 UNL111111111 0.1608 31 H 3.9112 1.2561 1.9127 H 1 UNL111111111 0.1642 32 H -4.4944 -0.2813 -1.7819 H 1 UNL111111111 0.1594 33 H -4.4334 1.4876 -1.8248 H 1 UNL111111111 0.1425 34 H 6.1521 0.2433 1.4103 H 1 UNL111111111 0.1767 35 H -6.0529 1.5348 0.1976 H 1 UNL111111111 0.1827 36 H -6.7431 0.9193 -1.3072 H 1 UNL111111111 0.1775 37 H 5.1801 1.6090 -0.8759 H 1 UNL111111111 0.3306 38 H 5.7702 -2.7939 -0.2781 H 1 UNL111111111 0.3583 39 H -7.5314 -1.2027 1.5878 H 1 UNL111111111 0.3550 @BOND 1 1 14 1 2 1 37 1 3 2 16 1 4 2 38 1 5 3 17 1 6 3 39 1 7 4 16 2 8 5 17 2 9 6 7 1 10 6 8 1 11 6 18 1 12 6 19 1 13 7 9 1 14 7 20 1 15 7 21 1 16 8 10 1 17 8 22 1 18 8 23 1 19 9 11 1 20 9 24 1 21 9 25 1 22 10 12 1 23 10 26 1 24 10 27 1 25 11 13 1 26 11 28 1 27 11 29 1 28 12 14 1 29 12 30 1 30 12 31 1 31 13 15 1 32 13 32 1 33 13 33 1 34 14 16 1 35 14 34 1 36 15 17 1 37 15 35 1 38 15 36 1