@MOLECULE DB02131 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 5.3410 -2.4802 0.1364 O.3 1 noname -0.2704 2 C1 4.0370 -2.3844 0.3175 C.2 1 noname 0.0098 3 N1 3.3564 -1.5576 -0.3745 N.2 1 noname -0.2363 4 C2 1.9980 -1.4578 -0.1860 C.3 1 noname 0.0495 5 C3 1.6461 -0.0319 0.2430 C.3 1 noname -0.0308 6 C4 1.2759 -1.7899 -1.4933 C.3 1 noname -0.0425 7 C5 0.1347 0.0792 0.4528 C.3 1 noname -0.0513 8 C6 -0.2172 1.5050 0.8818 C.3 1 noname -0.0532 9 C7 -1.7287 1.6161 1.0916 C.3 1 noname -0.0535 10 C8 -2.0806 3.0420 1.5206 C.3 1 noname -0.0561 11 C9 -3.5921 3.1531 1.7304 C.3 1 noname -0.0654 12 H1 5.7809 -2.5126 0.9891 H 1 noname 0.2192 13 H2 3.5135 -2.9981 1.0505 H 1 noname 0.1113 14 H3 1.7894 -2.1870 0.5969 H 1 noname 0.0548 15 H4 2.1114 0.1279 1.2157 H 1 noname 0.0288 16 H5 1.8963 0.6194 -0.5944 H 1 noname 0.0288 17 H6 1.2123 -2.8720 -1.6084 H 1 noname 0.0252 18 H7 0.2714 -1.3673 -1.4710 H 1 noname 0.0252 19 H8 1.8295 -1.3673 -2.3317 H 1 noname 0.0252 20 H9 -0.3306 -0.0807 -0.5198 H 1 noname 0.0267 21 H10 -0.1155 -0.5721 1.2903 H 1 noname 0.0267 22 H11 0.2480 1.6649 1.8545 H 1 noname 0.0266 23 H12 0.0329 2.1563 0.0444 H 1 noname 0.0266 24 H13 -2.1940 1.4563 0.1190 H 1 noname 0.0266 25 H14 -1.9788 0.9648 1.9291 H 1 noname 0.0266 26 H15 -1.6153 3.2018 2.4932 H 1 noname 0.0264 27 H16 -1.8305 3.6933 0.6831 H 1 noname 0.0264 28 H17 -3.8105 3.1691 2.7982 H 1 noname 0.0230 29 H18 -3.9561 4.0722 1.2713 H 1 noname 0.0230 30 H19 -4.0865 2.2970 1.2713 H 1 noname 0.0230 @BOND 1 1 2 1 2 2 3 2 3 4 3 1 4 4 5 1 5 4 6 1 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 2 13 1 13 4 14 1 14 5 15 1 15 5 16 1 16 6 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1 @SUBSTRUCTURE 1 noname 1