@MOLECULE DB02148 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 -5.4631 -3.5129 -1.1795 O.2 1 noname -0.2936 2 C1 -5.0012 -2.3598 -1.0403 C.2 1 noname 0.1441 3 C2 -3.6993 -2.0214 -1.6077 C.3 1 noname 0.0870 4 C3 -5.7637 -1.3512 -0.3101 C.3 1 noname -0.0040 5 N1 -3.8553 -0.9316 -2.5697 N.3 1 noname -0.3196 6 C4 -2.7536 -1.5819 -0.4882 C.3 1 noname 0.0694 7 O2 -1.4873 -1.2528 -1.0401 O.3 1 noname -0.3745 8 C5 -0.6096 -0.8449 -0.0010 C.3 1 noname 0.0719 9 C6 0.6923 -0.5065 -0.5685 C.2 1 noname -0.0437 10 C7 1.6712 -1.4854 -0.6944 C.2 1 noname -0.0498 11 C8 0.9530 0.7944 -0.9828 C.2 1 noname -0.0498 12 C9 2.9107 -1.1632 -1.2347 C.2 1 noname -0.0586 13 C10 2.1925 1.1165 -1.5231 C.2 1 noname -0.0586 14 C11 3.1714 0.1377 -1.6490 C.2 1 noname -0.0611 15 H1 -3.3233 -2.8953 -2.1398 H 1 noname 0.0569 16 H2 -5.6435 -1.5102 0.7615 H 1 noname 0.0310 17 H3 -5.3985 -0.3586 -0.5734 H 1 noname 0.0310 18 H4 -6.8183 -1.4320 -0.5734 H 1 noname 0.0310 19 H5 -3.0433 -0.4312 -2.9020 H 1 noname 0.1191 20 H6 -4.7750 -0.6792 -2.9020 H 1 noname 0.1191 21 H7 -3.1376 -0.6527 -0.0671 H 1 noname 0.0587 22 H8 -2.5745 -2.4405 0.1590 H 1 noname 0.0587 23 H9 -1.0303 0.0718 0.4124 H 1 noname 0.0617 24 H10 -0.4671 -1.7160 0.6385 H 1 noname 0.0617 25 H11 1.4667 -2.5055 -0.3695 H 1 noname 0.0626 26 H12 0.1854 1.5620 -0.8840 H 1 noname 0.0626 27 H13 3.6783 -1.9308 -1.3335 H 1 noname 0.0622 28 H14 2.3970 2.1367 -1.8480 H 1 noname 0.0622 29 H15 4.1434 0.3903 -2.0727 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 10 12 1 12 11 13 2 13 12 14 2 14 13 14 1 15 3 15 1 16 4 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 6 21 1 22 6 22 1 23 8 23 1 24 8 24 1 25 10 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 14 29 1 @SUBSTRUCTURE 1 noname 1