@MOLECULE 71586970 29 30 1 SMALL USER_CHARGES @ATOM 1 F1 0.3151 7.0853 4.5149 F 1 noname -0.1661 2 F2 2.2039 7.9235 3.6533 F 1 noname -0.1661 3 F3 0.2211 8.7407 3.0105 F 1 noname -0.1661 4 O1 -1.3288 0.8103 1.3190 O.3 1 noname -0.2170 5 O2 -0.0810 2.2980 2.4602 O.2 1 noname -0.2566 6 N1 2.0018 3.2636 1.5854 N.3 1 noname -0.0130 7 N2 1.4459 1.0220 -1.8142 N.2 1 noname -0.2661 8 C1 1.4058 4.4546 1.4376 C.2 1 noname -0.0230 9 C2 1.8206 2.5327 0.4770 C.2 1 noname 0.0387 10 C3 0.8404 6.6259 2.3106 C.2 1 noname -0.0122 11 C4 1.4587 5.3904 2.4640 C.2 1 noname -0.0265 12 C5 0.7346 4.7542 0.2578 C.2 1 noname -0.0577 13 C6 0.6701 1.6869 0.3878 C.2 1 noname 0.0256 14 C7 0.1692 6.9255 1.1309 C.2 1 noname -0.0507 15 C8 0.1164 5.9897 0.1044 C.2 1 noname -0.0541 16 C9 2.7842 2.6252 -0.5765 C.2 1 noname -0.0094 17 C10 0.8959 7.6088 3.3888 C.3 1 noname 0.4161 18 C11 0.4981 0.9139 -0.8095 C.2 1 noname 0.0476 19 C12 2.5678 1.8325 -1.7537 C.2 1 noname 0.0181 20 C13 -0.2509 1.6159 1.4265 C.2 1 noname 0.0947 21 H1 2.9513 3.3936 1.7353 H 1 noname 0.1342 22 H2 1.9512 5.1706 3.3297 H 1 noname 0.0645 23 H3 0.6958 4.0675 -0.4954 H 1 noname 0.0639 24 H4 -0.2845 7.8321 1.0183 H 1 noname 0.0628 25 H5 -0.3761 6.2095 -0.7613 H 1 noname 0.0623 26 H6 3.5981 3.2343 -0.4939 H 1 noname 0.0655 27 H7 -0.3067 0.2967 -0.9186 H 1 noname 0.0848 28 H8 3.2277 1.8653 -2.5308 H 1 noname 0.0839 29 H9 -2.1640 1.0460 1.7743 H 1 noname 0.2216 @BOND 1 1 17 1 2 2 17 1 3 3 17 1 4 4 20 1 5 4 29 1 6 5 20 2 7 6 8 1 8 6 9 1 9 6 21 1 10 7 18 2 11 7 19 1 12 8 11 1 13 8 12 2 14 9 13 2 15 9 16 1 16 10 11 2 17 10 14 1 18 10 17 1 19 11 22 1 20 12 15 1 21 12 23 1 22 13 18 1 23 13 20 1 24 14 15 2 25 14 24 1 26 15 25 1 27 16 19 2 28 16 26 1 29 18 27 1 30 19 28 1 @SUBSTRUCTURE 1 noname 1