@MOLECULE DB02947 31 33 1 SMALL USER_CHARGES @ATOM 1 F1 -4.3981 1.1563 3.5563 F 1 noname -0.0898 2 C1 -3.3751 0.6024 2.9738 C.2 1 noname 0.1336 3 N1 -2.7508 -0.4796 3.5366 N.2 1 noname -0.2102 4 N2 -2.8995 1.0884 1.7854 N.2 1 noname -0.1984 5 C2 -1.6680 -1.1254 2.9862 C.2 1 noname 0.0853 6 C3 -1.8379 0.4614 1.1954 C.2 1 noname 0.1267 7 N3 -1.0922 -2.1691 3.5983 N.3 1 noname -0.1006 8 C4 -1.1885 -0.6416 1.7483 C.2 1 noname 0.0159 9 N4 -1.2341 0.6925 0.0192 N.3 1 noname 0.0321 10 N5 -0.2217 -1.0505 0.9225 N.2 1 noname -0.2192 11 C5 -0.2558 -0.2237 -0.1505 C.2 1 noname -0.0317 12 C6 -1.5134 1.7435 -0.8939 C.3 1 noname 0.1330 13 O1 -1.3086 3.0015 -0.2773 O.3 1 noname -0.3512 14 C7 -2.9466 1.7774 -1.4162 C.3 1 noname 0.0195 15 C8 -1.7870 3.8963 -1.2574 C.3 1 noname 0.1090 16 C9 -3.0293 3.2351 -1.8627 C.3 1 noname 0.0867 17 C10 -2.1843 5.2159 -0.5928 C.3 1 noname 0.0721 18 O2 -2.9578 3.3009 -3.2794 O.3 1 noname -0.3900 19 O3 -1.0522 5.7810 0.0518 O.3 1 noname -0.3934 20 H1 -1.6412 -2.9850 3.8289 H 1 noname 0.1258 21 H2 -0.1094 -2.1401 3.8289 H 1 noname 0.1258 22 H3 0.4025 -0.2859 -1.0170 H 1 noname 0.1016 23 H4 -0.7771 1.5566 -1.6755 H 1 noname 0.0824 24 H5 -3.0145 1.1368 -2.2955 H 1 noname 0.0338 25 H6 -3.6284 1.6278 -0.5790 H 1 noname 0.0338 26 H7 -0.9841 4.0599 -1.9762 H 1 noname 0.0655 27 H8 -3.9702 3.7273 -1.6169 H 1 noname 0.0630 28 H9 -2.4541 5.9218 -1.3783 H 1 noname 0.0591 29 H10 -2.8920 4.9923 0.2055 H 1 noname 0.0591 30 H11 -2.9395 2.4116 -3.6405 H 1 noname 0.2105 31 H12 -1.1647 5.7248 1.0035 H 1 noname 0.2101 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 8 1 10 8 10 1 11 9 11 1 12 12 9 1 13 10 11 2 14 12 13 1 15 12 14 1 16 13 15 1 17 14 16 1 18 15 17 1 19 15 16 1 20 16 18 1 21 17 19 1 22 7 20 1 23 7 21 1 24 11 22 1 25 12 23 1 26 14 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 17 28 1 31 17 29 1 32 18 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1