@MOLECULE DB02021 30 32 1 SMALL USER_CHARGES @ATOM 1 F1 2.1856 2.6362 -2.1053 F 1 noname -0.1671 2 C1 1.1623 2.0258 -1.5829 C.2 1 noname 0.0152 3 C2 1.2393 0.6234 -1.3312 C.2 1 noname 0.0165 4 C3 -0.0126 2.7725 -1.2739 C.2 1 noname 0.0030 5 C4 0.0970 -0.0187 -0.7298 C.2 1 noname 0.0090 6 C5 -1.1648 2.1560 -0.7149 C.2 1 noname -0.0081 7 C6 -1.1041 0.7532 -0.4491 C.2 1 noname 0.0126 8 C7 0.1180 -1.4486 -0.2294 C.3 1 noname 0.1595 9 O1 -2.1815 0.1387 0.1742 O.3 1 noname -0.2645 10 N1 1.3465 -2.0249 -0.0048 N.2 1 noname -0.1698 11 C8 -0.4629 -2.4633 -1.0688 C.2 1 noname 0.0698 12 C9 -0.5914 -1.5684 1.1475 C.3 1 noname 0.0194 13 C10 -1.8790 -0.7436 1.2956 C.3 1 noname 0.1307 14 C11 1.4000 -3.1921 -0.5246 C.2 1 noname 0.0731 15 O2 -1.6496 -2.3775 -1.6405 O.3 1 noname -0.2511 16 N2 0.3335 -3.4632 -1.1841 N.2 1 noname -0.1382 17 C12 -1.7394 -0.0077 2.6283 C.2 1 noname 0.0268 18 O3 2.4244 -4.0151 -0.3982 O.3 1 noname -0.2279 19 O4 -2.7542 0.6869 3.1081 O.3 1 noname -0.2587 20 N3 -0.6428 -0.0648 3.2763 N.2 1 noname -0.2328 21 H1 2.1381 0.0631 -1.5890 H 1 noname 0.0658 22 H2 -0.0304 3.8445 -1.4706 H 1 noname 0.0654 23 H3 -2.0612 2.7371 -0.4983 H 1 noname 0.0651 24 H4 -0.9054 -2.6090 1.2290 H 1 noname 0.0331 25 H5 0.1035 -1.1501 1.8756 H 1 noname 0.0331 26 H6 -2.7687 -1.3713 1.2458 H 1 noname 0.0700 27 H7 -2.3282 -2.3285 -0.9633 H 1 noname 0.2196 28 H8 2.6051 -4.1603 0.5334 H 1 noname 0.2215 29 H9 -2.7287 0.6694 4.0676 H 1 noname 0.2196 30 H10 -0.8366 -0.0547 4.2675 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