@MOLECULE DB02101 30 32 1 SMALL USER_CHARGES @ATOM 1 F1 1.3656 3.2659 -0.2758 F 1 noname -0.1671 2 C1 0.6363 2.2670 -0.6796 C.2 1 noname 0.0152 3 C2 0.8627 0.9681 -0.1270 C.2 1 noname 0.0165 4 C3 -0.3732 2.4928 -1.6657 C.2 1 noname 0.0030 5 C4 0.0218 -0.0936 -0.5985 C.2 1 noname 0.0090 6 C5 -1.2370 1.4568 -2.0973 C.2 1 noname -0.0081 7 C6 -1.0571 0.1722 -1.5237 C.2 1 noname 0.0126 8 C7 0.1790 -1.5427 -0.2433 C.3 1 noname 0.1595 9 O1 -1.9615 -0.8206 -1.8521 O.3 1 noname -0.2645 10 N1 0.6867 -2.1896 -1.3569 N.2 1 noname -0.1698 11 C8 1.1895 -1.9424 0.6978 C.2 1 noname 0.0698 12 C9 -1.2092 -2.1213 0.2001 C.3 1 noname 0.0194 13 C10 -2.3454 -1.7593 -0.7942 C.3 1 noname 0.1307 14 C11 1.7567 -2.8410 -1.1096 C.2 1 noname 0.0731 15 O2 1.2154 -1.5981 1.9719 O.3 1 noname -0.2511 16 N2 2.0602 -2.6805 0.1198 N.2 1 noname -0.1382 17 C12 -3.5820 -1.3214 0.0155 C.2 1 noname 0.0268 18 O3 2.4370 -3.5616 -1.9815 O.3 1 noname -0.2279 19 O4 -4.7389 -1.1391 -0.5933 O.3 1 noname -0.2587 20 N3 -3.4872 -1.1352 1.2733 N.2 1 noname -0.2328 21 H1 1.6392 0.7955 0.6182 H 1 noname 0.0658 22 H2 -0.4878 3.4852 -2.1017 H 1 noname 0.0654 23 H3 -2.0107 1.6412 -2.8426 H 1 noname 0.0651 24 H4 -1.1144 -3.2066 0.1649 H 1 noname 0.0331 25 H5 -1.4622 -1.6265 1.1377 H 1 noname 0.0331 26 H6 -2.5849 -2.6158 -1.4243 H 1 noname 0.0700 27 H7 1.2265 -2.3885 2.5167 H 1 noname 0.2196 28 H8 3.0123 -4.1711 -1.5135 H 1 noname 0.2215 29 H9 -5.4318 -1.0299 0.0622 H 1 noname 0.2196 30 H10 -3.4517 -2.0281 1.7440 H 1 noname 0.1896 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 7 1 9 7 9 1 10 8 10 1 11 8 11 1 12 8 12 1 13 9 13 1 14 10 14 2 15 11 15 1 16 11 16 2 17 12 13 1 18 13 17 1 19 14 18 1 20 14 16 1 21 17 19 1 22 17 20 2 23 3 21 1 24 4 22 1 25 6 23 1 26 12 24 1 27 12 25 1 28 13 26 1 29 15 27 1 30 18 28 1 31 19 29 1 32 20 30 1 @SUBSTRUCTURE 1 noname 1