@MOLECULE pnu-120,596 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.5512 -2.5421 0.2980 Cl 1 UNL1111111111 -0.0386 2 O -1.4684 2.8676 -0.2982 O.3 1 UNL1111111111 -0.3501 3 O -5.1858 -0.0945 0.1528 O.3 1 UNL1111111111 -0.3195 4 O 5.4837 -1.4028 0.0586 O.2 1 UNL1111111111 0.0253 5 O 1.2325 -1.2150 0.1865 O.2 1 UNL1111111111 -0.4302 6 N 0.2844 0.8761 -0.1039 N.am 1 UNL1111111111 -0.5765 7 N 2.5825 0.6395 -0.1515 N.am 1 UNL1111111111 -0.5727 8 N 4.1062 -1.2745 0.0643 N.ar 1 UNL1111111111 -0.2571 9 C -1.0725 0.5256 -0.0215 C.ar 1 UNL1111111111 0.1717 10 C -1.9873 1.6079 -0.0925 C.ar 1 UNL1111111111 0.1092 11 C -1.5661 -0.7751 0.1087 C.ar 1 UNL1111111111 -0.2004 12 C -3.3569 1.4112 -0.0712 C.ar 1 UNL1111111111 -0.2127 13 C -3.8342 0.1032 0.0369 C.ar 1 UNL1111111111 0.1467 14 C -2.9434 -0.9639 0.1393 C.ar 1 UNL1111111111 -0.0321 15 C 1.3483 -0.0348 -0.0056 C.2 1 UNL1111111111 0.7191 16 C 3.8248 0.0258 -0.0852 C.ar 1 UNL1111111111 0.3005 17 C 5.0619 0.7921 -0.1966 C.ar 1 UNL1111111111 -0.4007 18 C 6.0474 -0.1520 -0.1004 C.ar 1 UNL1111111111 0.1499 19 C 7.5084 -0.1031 -0.1385 C.3 1 UNL1111111111 -0.4569 20 C -1.3860 3.6277 0.9070 C.3 1 UNL1111111111 -0.1950 21 C -5.7988 -0.3790 -1.1052 C.3 1 UNL1111111111 -0.1968 22 H -0.8846 -1.6304 0.1862 H 1 UNL1111111111 0.2228 23 H -4.0475 2.2488 -0.1407 H 1 UNL1111111111 0.1859 24 H 0.4551 1.8609 -0.3130 H 1 UNL1111111111 0.3296 25 H 2.6001 1.6434 -0.3011 H 1 UNL1111111111 0.3198 26 H 5.1436 1.8449 -0.3187 H 1 UNL1111111111 0.1835 27 H 7.8889 0.9265 -0.2529 H 1 UNL1111111111 0.1768 28 H 7.9585 -0.5098 0.7880 H 1 UNL1111111111 0.1824 29 H 7.9194 -0.6918 -0.9761 H 1 UNL1111111111 0.1822 30 H -2.3666 3.7138 1.3843 H 1 UNL1111111111 0.1383 31 H -1.0443 4.6076 0.5509 H 1 UNL1111111111 0.1472 32 H -0.6613 3.1820 1.5917 H 1 UNL1111111111 0.1316 33 H -5.3397 -1.2464 -1.5881 H 1 UNL1111111111 0.1377 34 H -5.7545 0.5011 -1.7545 H 1 UNL1111111111 0.1289 35 H -6.8336 -0.6025 -0.8178 H 1 UNL1111111111 0.1502 @BOND 1 1 14 1 2 2 10 1 3 2 20 1 4 3 13 1 5 3 21 1 6 4 8 ar 7 4 18 ar 8 5 15 2 9 6 9 1 10 6 15 am 11 6 24 1 12 7 15 am 13 7 16 1 14 7 25 1 15 8 16 ar 16 9 10 ar 17 9 11 ar 18 10 12 ar 19 11 14 ar 20 11 22 1 21 12 13 ar 22 12 23 1 23 13 14 ar 24 16 17 ar 25 17 18 ar 26 17 26 1 27 18 19 1 28 19 27 1 29 19 28 1 30 19 29 1 31 20 30 1 32 20 31 1 33 20 32 1 34 21 33 1 35 21 34 1 36 21 35 1