@MOLECULE tridecanedioic acid 41 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.6532 -0.4385 -0.0333 O.3 1 UNL1111111111 -0.5737 2 O 8.6412 -0.4728 -0.1003 O.3 1 UNL1111111111 -0.5752 3 O -7.5533 1.4945 -0.1173 O.2 1 UNL1111111111 -0.5064 4 O 7.5895 1.4835 0.0551 O.2 1 UNL1111111111 -0.5051 5 C -0.0048 0.1925 0.0841 C.3 1 UNL1111111111 -0.2728 6 C -1.2636 -0.6838 0.0528 C.3 1 UNL1111111111 -0.2765 7 C 1.2636 -0.6675 0.0198 C.3 1 UNL1111111111 -0.2766 8 C -2.5231 0.1903 0.0896 C.3 1 UNL1111111111 -0.2700 9 C 2.5149 0.2191 0.0450 C.3 1 UNL1111111111 -0.2698 10 C -3.7930 -0.6694 0.0433 C.3 1 UNL1111111111 -0.2711 11 C 3.7864 -0.6365 -0.0232 C.3 1 UNL1111111111 -0.2713 12 C -5.0346 0.2282 0.0571 C.3 1 UNL1111111111 -0.2569 13 C 5.0325 0.2548 0.0075 C.3 1 UNL1111111111 -0.2565 14 C -6.3166 -0.6067 -0.0076 C.3 1 UNL1111111111 -0.3478 15 C 6.3059 -0.5921 -0.0620 C.3 1 UNL1111111111 -0.3480 16 C -7.5066 0.2947 -0.0588 C.2 1 UNL1111111111 0.6465 17 C 7.5130 0.2869 -0.0258 C.2 1 UNL1111111111 0.6468 18 H -0.0201 0.9059 -0.7615 H 1 UNL1111111111 0.1387 19 H 0.0030 0.8102 1.0018 H 1 UNL1111111111 0.1385 20 H -1.2642 -1.3142 -0.8556 H 1 UNL1111111111 0.1363 21 H -1.2601 -1.3842 0.9082 H 1 UNL1111111111 0.1361 22 H 1.2551 -1.2876 -0.8957 H 1 UNL1111111111 0.1362 23 H 1.2831 -1.3777 0.8671 H 1 UNL1111111111 0.1361 24 H -2.5218 0.8154 1.0027 H 1 UNL1111111111 0.1395 25 H -2.5147 0.8983 -0.7611 H 1 UNL1111111111 0.1401 26 H 2.5215 0.8383 0.9621 H 1 UNL1111111111 0.1398 27 H 2.4906 0.9322 -0.8010 H 1 UNL1111111111 0.1398 28 H -3.8113 -1.3654 0.9025 H 1 UNL1111111111 0.1375 29 H -3.7872 -1.3036 -0.8629 H 1 UNL1111111111 0.1376 30 H 3.8056 -1.3507 0.8211 H 1 UNL1111111111 0.1375 31 H 3.7776 -1.2511 -0.9427 H 1 UNL1111111111 0.1375 32 H -5.0399 0.8636 0.9655 H 1 UNL1111111111 0.1524 33 H -5.0029 0.9406 -0.7928 H 1 UNL1111111111 0.1558 34 H 5.0384 0.8775 0.9249 H 1 UNL1111111111 0.1540 35 H 5.0098 0.9783 -0.8323 H 1 UNL1111111111 0.1537 36 H -6.3920 -1.2902 0.8662 H 1 UNL1111111111 0.1812 37 H -6.3124 -1.2755 -0.8958 H 1 UNL1111111111 0.1811 38 H 6.3450 -1.3212 0.7771 H 1 UNL1111111111 0.1813 39 H 6.3195 -1.2148 -0.9833 H 1 UNL1111111111 0.1813 40 H -9.4743 0.1085 -0.0674 H 1 UNL1111111111 0.3562 41 H 9.4769 0.0527 -0.0809 H 1 UNL1111111111 0.3561 @BOND 1 1 16 1 2 1 40 1 3 2 17 1 4 2 41 1 5 3 16 2 6 4 17 2 7 5 6 1 8 5 7 1 9 5 18 1 10 5 19 1 11 6 8 1 12 6 20 1 13 6 21 1 14 7 9 1 15 7 22 1 16 7 23 1 17 8 10 1 18 8 24 1 19 8 25 1 20 9 11 1 21 9 26 1 22 9 27 1 23 10 12 1 24 10 28 1 25 10 29 1 26 11 13 1 27 11 30 1 28 11 31 1 29 12 14 1 30 12 32 1 31 12 33 1 32 13 15 1 33 13 34 1 34 13 35 1 35 14 16 1 36 14 36 1 37 14 37 1 38 15 17 1 39 15 38 1 40 15 39 1