@MOLECULE 236559 47 51 1 SMALL USER_CHARGES @ATOM 1 F1 -0.5688 -5.2055 4.7745 F 1 noname -0.1661 2 C1 0.7233 -5.1719 4.3057 C.3 1 noname 0.4161 3 F2 0.8771 -6.1142 3.3218 F 1 noname -0.1661 4 F3 1.4877 -5.4702 5.4040 F 1 noname -0.1661 5 C2 1.1607 -3.8647 3.8035 C.2 1 noname -0.0002 6 C3 1.0948 -2.6680 4.6050 C.2 1 noname 0.0068 7 C4 1.6282 -3.7840 2.4612 C.2 1 noname -0.0210 8 C5 1.4228 -1.3605 4.1032 C.2 1 noname -0.0069 9 C6 1.9925 -2.5585 1.8591 C.2 1 noname -0.0423 10 N1 1.3294 -0.0912 4.8561 N.3 1 noname -0.0969 11 C7 1.8596 -1.4330 2.7097 C.2 1 noname -0.0248 12 C8 1.7131 1.0691 4.1471 C.2 1 noname 0.0923 13 C9 0.9134 0.1669 6.2239 C.2 1 noname 0.0835 14 O1 2.1068 1.2192 2.9625 O.2 1 noname -0.2627 15 N2 1.7475 2.3094 4.6277 N.3 1 noname 0.0942 16 C10 0.4545 -0.7514 7.2760 C.2 1 noname 0.0634 17 C11 0.9605 1.5561 6.6953 C.2 1 noname 0.0648 18 C12 1.3972 2.6030 5.8634 C.2 1 noname 0.0734 19 N3 0.3079 -2.1225 7.2433 N.2 1 noname -0.2124 20 C13 0.1139 -0.2140 8.5788 C.2 1 noname 0.0428 21 C14 0.6033 1.9946 7.9871 C.2 1 noname 0.0545 22 O2 1.5095 3.8341 6.1257 O.2 1 noname -0.2844 23 C15 -0.0973 -2.9466 8.2807 C.2 1 noname 0.0275 24 N4 0.1928 1.0963 8.8870 N.2 1 noname -0.2223 25 C16 -0.3298 -0.9789 9.6791 C.2 1 noname 0.0097 26 C17 -0.1774 -4.3629 8.1258 C.2 1 noname 0.0192 27 C18 -0.4349 -2.3596 9.5313 C.2 1 noname 0.0018 28 C19 0.9033 -5.0694 7.5504 C.2 1 noname 0.0454 29 C20 -1.3247 -5.1263 8.4967 C.2 1 noname 0.0454 30 N5 0.7999 -6.3996 7.2736 N.2 1 noname -0.1854 31 N6 -1.3901 -6.4564 8.2182 N.2 1 noname -0.1854 32 C21 -0.3610 -7.0603 7.5829 C.2 1 noname 0.1257 33 O3 -0.5166 -8.3331 7.1707 O.3 1 noname -0.2089 34 C22 -0.0195 -9.2167 8.1649 C.3 1 noname 0.0456 35 H1 0.7804 -2.7565 5.6449 H 1 noname 0.0645 36 H2 1.7105 -4.6968 1.8711 H 1 noname 0.0628 37 H3 2.3448 -2.4876 0.8301 H 1 noname 0.0623 38 H4 2.1304 -0.4946 2.2257 H 1 noname 0.0639 39 H5 2.0533 3.0620 4.0276 H 1 noname 0.1418 40 H6 0.6450 3.0398 8.2936 H 1 noname 0.0848 41 H7 -0.5875 -0.5103 10.6289 H 1 noname 0.0646 42 H8 -0.7727 -2.9651 10.3724 H 1 noname 0.0646 43 H9 1.8446 -4.5737 7.3130 H 1 noname 0.0848 44 H10 -2.1772 -4.6796 9.0084 H 1 noname 0.0848 45 H11 -0.2451 -8.8157 9.1531 H 1 noname 0.0536 46 H12 -0.4916 -10.1927 8.0525 H 1 noname 0.0536 47 H13 1.0597 -9.3200 8.0525 H 1 noname 0.0536 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 15 18 1 19 16 19 2 20 16 20 1 21 17 21 1 22 17 18 1 23 18 22 2 24 19 23 1 25 20 24 1 26 20 25 2 27 21 24 2 28 23 26 1 29 23 27 2 30 25 27 1 31 26 28 2 32 26 29 1 33 28 30 1 34 29 31 2 35 30 32 2 36 31 32 1 37 32 33 1 38 33 34 1 39 6 35 1 40 7 36 1 41 9 37 1 42 11 38 1 43 15 39 1 44 21 40 1 45 25 41 1 46 27 42 1 47 28 43 1 48 29 44 1 49 34 45 1 50 34 46 1 51 34 47 1 @SUBSTRUCTURE 1 noname 1