@MOLECULE 59282828 30 33 1 SMALL USER_CHARGES @ATOM 1 S1 0.7821 2.2276 0.1815 S.3 1 noname -0.1286 2 F1 -6.9771 -2.7675 0.4424 F 1 noname -0.1284 3 O1 5.5967 0.2792 -0.3895 O.3 1 noname -0.2429 4 N1 0.1188 -0.1881 -0.0360 N.3 1 noname 0.0531 5 N2 -1.7904 0.9015 0.2938 N.2 1 noname -0.1922 6 N3 3.4450 1.2011 -0.1110 N.2 1 noname -0.1785 7 N4 -4.8064 -2.7659 -0.3494 N.2 1 noname -0.1968 8 C1 1.4585 -0.2080 -0.2270 C.2 1 noname -0.0076 9 C2 -0.4685 0.9902 0.1687 C.2 1 noname 0.0393 10 C3 -0.8277 -1.1270 0.0051 C.2 1 noname -0.0358 11 C4 2.0852 1.0631 -0.0694 C.2 1 noname 0.0834 12 C5 -2.0195 -0.4221 0.1932 C.2 1 noname 0.0418 13 C6 2.2927 -1.3242 -0.5356 C.2 1 noname 0.0012 14 C7 -3.2795 -1.0123 0.2593 C.2 1 noname -0.0001 15 C8 3.6990 -1.1693 -0.6068 C.2 1 noname 0.0218 16 C9 4.2566 0.1179 -0.3666 C.2 1 noname 0.0722 17 C10 -4.3140 -0.3959 1.0436 C.2 1 noname 0.0036 18 C11 -3.5531 -2.2283 -0.4535 C.2 1 noname 0.0383 19 C12 -5.6128 -0.9800 1.1306 C.2 1 noname 0.0346 20 C13 -5.8121 -2.1899 0.4002 C.2 1 noname 0.0891 21 C14 6.1213 0.0675 0.9130 C.3 1 noname 0.0440 22 H1 -0.7080 -2.1362 -0.0815 H 1 noname 0.0819 23 H2 1.8739 -2.2385 -0.7059 H 1 noname 0.0645 24 H3 4.2997 -1.9641 -0.8258 H 1 noname 0.0668 25 H4 -4.1172 0.4705 1.5445 H 1 noname 0.0631 26 H5 -2.8342 -2.6778 -1.0205 H 1 noname 0.0847 27 H6 -6.3576 -0.5564 1.6840 H 1 noname 0.0670 28 H7 7.2033 0.1977 0.8945 H 1 noname 0.0535 29 H8 5.6805 0.7865 1.6035 H 1 noname 0.0535 30 H9 5.8826 -0.9443 1.2408 H 1 noname 0.0535 @BOND 1 1 9 1 2 1 11 1 3 2 20 1 4 3 16 1 5 3 21 1 6 4 8 1 7 4 9 1 8 4 10 1 9 5 9 2 10 5 12 1 11 6 11 1 12 6 16 2 13 7 18 1 14 7 20 2 15 8 11 2 16 8 13 1 17 10 12 2 18 10 22 1 19 12 14 1 20 13 15 2 21 13 23 1 22 14 17 1 23 14 18 2 24 15 16 1 25 15 24 1 26 17 19 2 27 17 25 1 28 18 26 1 29 19 20 1 30 19 27 1 31 21 28 1 32 21 29 1 33 21 30 1 @SUBSTRUCTURE 1 noname 1