@MOLECULE 71621663 32 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.8572 -1.2794 2.2834 Cl 1 noname -0.1232 2 F1 1.3644 -1.5403 1.4179 F 1 noname -0.2399 3 O1 -1.6635 -0.0395 0.6128 O.3 1 noname -0.3460 4 O2 0.2197 -0.7710 3.4590 O.3 1 noname -0.3866 5 O3 -1.5630 2.4719 1.8965 O.3 1 noname -0.3931 6 O4 -1.9912 -2.6105 -1.3749 O.2 1 noname -0.2486 7 N1 -0.4846 -0.8889 -1.2390 N.3 1 noname 0.0556 8 N2 -1.1343 -1.8170 -3.3252 N.2 1 noname -0.1587 9 N3 -0.2684 -1.0128 -5.3419 N.3 1 noname -0.1313 10 C1 -1.5447 0.0666 2.0372 C.3 1 noname 0.1356 11 C2 -0.0446 0.1042 2.3724 C.3 1 noname 0.1216 12 C3 0.5830 -0.4592 1.1013 C.3 1 noname 0.1691 13 C4 -0.5961 -0.9179 0.2178 C.3 1 noname 0.1571 14 C5 -2.2054 1.3634 2.5089 C.3 1 noname 0.0762 15 C6 -2.1572 -1.1627 2.7115 C.3 1 noname 0.0565 16 C7 0.3121 0.0260 -1.9235 C.2 1 noname -0.0515 17 C8 -1.2351 -1.8064 -1.9617 C.2 1 noname 0.1025 18 C9 0.4473 0.0487 -3.3382 C.2 1 noname -0.0083 19 C10 -0.3271 -0.9376 -4.0053 C.2 1 noname -0.0358 20 H1 0.3665 1.0933 2.5745 H 1 noname 0.0664 21 H2 1.1191 0.3392 0.5882 H 1 noname 0.0732 22 H3 -0.7930 -1.9606 0.5587 H 1 noname 0.0820 23 H4 -3.2596 1.3558 2.2319 H 1 noname 0.0595 24 H5 -2.1150 1.4441 3.5922 H 1 noname 0.0595 25 H6 -2.0604 -1.0697 3.7933 H 1 noname 0.0467 26 H7 -1.6356 -2.0590 2.3758 H 1 noname 0.0467 27 H8 1.1759 -0.7469 3.6726 H 1 noname 0.2107 28 H9 0.8270 0.7181 -1.3793 H 1 noname 0.0759 29 H10 -1.9862 3.3025 2.1987 H 1 noname 0.2101 30 H11 1.0458 0.7126 -3.8295 H 1 noname 0.0666 31 H12 -0.8460 -1.7281 -5.6512 H 1 noname 0.1257 32 H13 -0.5612 -0.1717 -5.7263 H 1 noname 0.1257 @BOND 1 1 15 1 2 12 2 1 3 3 10 1 4 3 13 1 5 11 4 1 6 4 27 1 7 5 14 1 8 5 29 1 9 6 17 2 10 13 7 1 11 7 16 1 12 7 17 1 13 8 17 1 14 8 19 2 15 9 19 1 16 9 31 1 17 9 32 1 18 10 11 1 19 10 14 1 20 10 15 1 21 11 12 1 22 11 20 1 23 12 13 1 24 12 21 1 25 13 22 1 26 14 23 1 27 14 24 1 28 15 25 1 29 15 26 1 30 16 18 2 31 16 28 1 32 18 19 1 33 18 30 1 @SUBSTRUCTURE 1 noname 1