@MOLECULE 71587640 40 42 1 SMALL USER_CHARGES @ATOM 1 F1 -4.2135 6.0155 1.2765 F 1 noname -0.1655 2 O1 0.4223 2.2638 -0.4034 O.3 1 noname -0.3607 3 O2 2.8025 2.2897 -6.4089 O.3 1 noname -0.2189 4 O3 2.5848 0.8589 -4.6832 O.2 1 noname -0.2559 5 N1 -2.7514 -3.9083 -0.3460 N.1 1 noname -0.1840 6 C1 -0.7115 2.4290 -1.2908 C.3 1 noname 0.1190 7 C2 -0.2428 3.0692 -2.6182 C.3 1 noname -0.0148 8 C3 -1.2739 1.0571 -1.3451 C.2 1 noname -0.0154 9 C4 -0.4270 0.1812 -0.6343 C.2 1 noname -0.0147 10 C5 -1.6759 3.4166 -0.5838 C.2 1 noname -0.0417 11 C6 0.7698 0.8733 -0.1941 C.3 1 noname 0.0739 12 C7 0.7951 2.1628 -3.2831 C.3 1 noname -0.0405 13 C8 -2.4986 0.5662 -1.9090 C.2 1 noname -0.0295 14 C9 -0.7606 -1.1760 -0.3829 C.2 1 noname -0.0010 15 C10 1.2587 2.7962 -4.5964 C.3 1 noname 0.0336 16 C11 -2.2065 3.0988 0.6610 C.2 1 noname -0.0304 17 C12 -2.0095 4.6197 -1.1950 C.2 1 noname -0.0304 18 C13 -2.8790 -0.7795 -1.6210 C.2 1 noname -0.0121 19 C14 -2.0284 -1.6341 -0.8550 C.2 1 noname -0.0015 20 C15 -3.0709 3.9840 1.2946 C.2 1 noname -0.0044 21 C16 -2.8739 5.5048 -0.5613 C.2 1 noname -0.0044 22 C17 -3.4045 5.1870 0.6834 C.2 1 noname 0.0236 23 C18 2.2492 1.9313 -5.2308 C.2 1 noname 0.1348 24 C19 -2.4112 -2.8383 -0.5854 C.1 1 noname 0.0602 25 H1 -1.0972 3.1924 -3.2837 H 1 noname 0.0303 26 H2 0.2025 4.0430 -2.4146 H 1 noname 0.0303 27 H3 0.9230 0.6934 0.8700 H 1 noname 0.0618 28 H4 1.6271 0.5148 -0.7639 H 1 noname 0.0618 29 H5 0.3498 1.1890 -3.4867 H 1 noname 0.0273 30 H6 1.6495 2.0396 -2.6175 H 1 noname 0.0273 31 H7 -3.0806 1.1614 -2.4984 H 1 noname 0.0627 32 H8 -0.1220 -1.7974 0.1136 H 1 noname 0.0640 33 H9 0.4043 2.9194 -5.2619 H 1 noname 0.0372 34 H10 1.7040 3.7700 -4.3927 H 1 noname 0.0372 35 H11 -1.9617 2.2160 1.1094 H 1 noname 0.0627 36 H12 -1.6201 4.8529 -2.1084 H 1 noname 0.0627 37 H13 -3.7701 -1.1354 -1.9669 H 1 noname 0.0636 38 H14 -3.4603 3.7508 2.2080 H 1 noname 0.0653 39 H15 -3.1187 6.3876 -1.0098 H 1 noname 0.0653 40 H16 3.7149 2.0071 -6.6278 H 1 noname 0.2213 @BOND 1 1 22 1 2 2 6 1 3 2 11 1 4 3 23 1 5 3 40 1 6 4 23 2 7 5 24 3 8 6 7 1 9 6 8 1 10 6 10 1 11 7 12 1 12 7 25 1 13 7 26 1 14 8 9 2 15 8 13 1 16 9 11 1 17 9 14 1 18 10 16 2 19 10 17 1 20 11 27 1 21 11 28 1 22 12 15 1 23 12 29 1 24 12 30 1 25 13 18 2 26 13 31 1 27 14 19 2 28 14 32 1 29 15 23 1 30 15 33 1 31 15 34 1 32 16 20 1 33 16 35 1 34 17 21 2 35 17 36 1 36 18 19 1 37 18 37 1 38 19 24 1 39 20 22 2 40 20 38 1 41 21 22 1 42 21 39 1 @SUBSTRUCTURE 1 noname 1