@MOLECULE 91810702 42 44 1 SMALL USER_CHARGES @ATOM 1 F1 0.1516 -6.4225 1.9863 F 1 noname -0.2480 2 O1 -0.6494 -4.5009 -1.5768 O.3 1 noname -0.2729 3 O2 1.7465 -6.9101 -0.2507 O.3 1 noname -0.3879 4 N1 -2.5726 -3.5451 -6.6537 N.2 1 noname -0.2417 5 N2 -5.9362 -3.7029 -10.0816 N.2 1 noname -0.2608 6 N3 -5.4986 -3.1184 -12.2993 N.3 1 noname -0.1106 7 C1 -2.7721 -4.6959 -4.5553 C.2 1 noname 0.0021 8 C2 -2.0760 -3.7579 -5.4105 C.2 1 noname 0.0194 9 C3 -1.1293 -4.2735 -2.8180 C.2 1 noname 0.0056 10 C4 -2.2957 -4.9571 -3.2452 C.2 1 noname -0.0057 11 C5 -3.6985 -4.1881 -7.1218 C.2 1 noname 0.0053 12 C6 0.2766 -5.5767 -1.6171 C.3 1 noname 0.0819 13 C7 0.8205 -5.8344 -0.2104 C.3 1 noname 0.1062 14 C8 -3.9181 -5.3819 -4.9814 C.2 1 noname -0.0341 15 C9 -0.9106 -3.0720 -4.9868 C.2 1 noname -0.0027 16 C10 -0.4505 -3.3507 -3.6691 C.2 1 noname -0.0147 17 C11 -4.3822 -5.1331 -6.2837 C.2 1 noname -0.0248 18 C12 -4.1653 -3.8992 -8.4470 C.2 1 noname -0.0321 19 C13 -0.3357 -6.1916 0.7259 C.3 1 noname 0.1176 20 C14 -3.2464 -3.5313 -9.4866 C.2 1 noname -0.0205 21 C15 -5.5610 -3.9666 -8.7886 C.2 1 noname 0.0168 22 C16 -3.6421 -3.2468 -10.8182 C.2 1 noname -0.0286 23 C17 -5.0399 -3.3585 -11.0634 C.2 1 noname 0.0300 24 C18 -5.5030 -4.3181 -13.0403 C.3 1 noname -0.0101 25 H1 -2.7760 -5.6147 -2.6310 H 1 noname 0.0657 26 H2 -0.2236 -6.4732 -1.9831 H 1 noname 0.0600 27 H3 1.1003 -5.3222 -2.2840 H 1 noname 0.0600 28 H4 1.3207 -4.9378 0.1557 H 1 noname 0.0652 29 H5 -4.3985 -6.0391 -4.3668 H 1 noname 0.0630 30 H6 -0.4261 -2.4120 -5.5952 H 1 noname 0.0646 31 H7 0.3856 -2.8790 -3.3243 H 1 noname 0.0650 32 H8 -5.2049 -5.6237 -6.6342 H 1 noname 0.0645 33 H9 -1.0466 -5.3659 0.7568 H 1 noname 0.0652 34 H10 -0.8360 -7.0882 0.3598 H 1 noname 0.0652 35 H11 -2.2549 -3.4714 -9.2549 H 1 noname 0.0631 36 H12 -6.2580 -4.2058 -8.0833 H 1 noname 0.0847 37 H13 -2.9764 -2.9825 -11.5445 H 1 noname 0.0656 38 H14 2.4871 -6.6813 -0.8503 H 1 noname 0.2106 39 H15 -6.4014 -2.7676 -12.2467 H 1 noname 0.1292 40 H16 -5.8761 -4.1228 -14.0456 H 1 noname 0.0396 41 H17 -6.1478 -5.0465 -12.5485 H 1 noname 0.0396 42 H18 -4.4885 -4.7123 -13.0994 H 1 noname 0.0396 @BOND 1 1 19 1 2 2 9 1 3 2 12 1 4 13 3 1 5 3 38 1 6 4 8 1 7 4 11 2 8 5 21 1 9 5 23 2 10 6 23 1 11 6 24 1 12 6 39 1 13 7 8 2 14 7 10 1 15 7 14 1 16 8 15 1 17 9 10 2 18 9 16 1 19 10 25 1 20 11 17 1 21 11 18 1 22 12 13 1 23 12 26 1 24 12 27 1 25 13 19 1 26 13 28 1 27 14 17 2 28 14 29 1 29 15 16 2 30 15 30 1 31 16 31 1 32 17 32 1 33 18 20 1 34 18 21 2 35 19 33 1 36 19 34 1 37 20 22 2 38 20 35 1 39 21 36 1 40 22 23 1 41 22 37 1 42 24 40 1 43 24 41 1 44 24 42 1 @SUBSTRUCTURE 1 noname 1