@MOLECULE 72941976 59 62 1 SMALL USER_CHARGES @ATOM 1 F1 -0.7976 0.4273 -15.0192 F 1 noname -0.2444 2 F2 -0.8649 -2.2406 -10.7998 F 1 noname -0.1562 3 F3 2.3940 1.8773 -9.3852 F 1 noname -0.1626 4 O1 3.5970 -3.9608 -1.3012 O.3 1 noname -0.3465 5 O2 1.5817 -5.1264 -1.4391 O.3 1 noname -0.3464 6 O3 4.0368 -1.5419 -3.4800 O.3 1 noname -0.3884 7 O4 1.0371 -2.9665 0.1319 O.3 1 noname -0.3874 8 O5 -0.6461 -1.0751 -2.2724 O.3 1 noname -0.3884 9 O6 -0.0466 -0.4446 -12.6426 O.3 1 noname -0.2569 10 O7 2.5298 0.6003 -4.7976 O.2 1 noname -0.2971 11 N1 1.4421 -1.1401 -3.8723 N.3 1 noname -0.0732 12 C1 2.8679 -3.3872 -2.3801 C.3 1 noname 0.1168 13 C2 1.4229 -3.8664 -2.1018 C.3 1 noname 0.1177 14 C3 1.8372 -0.9745 -2.5414 C.3 1 noname 0.0715 15 C4 3.1201 -1.8468 -2.4138 C.3 1 noname 0.1013 16 C5 0.5866 -2.8962 -1.2189 C.3 1 noname 0.1105 17 C6 0.6097 -1.4007 -1.6613 C.3 1 noname 0.1009 18 C7 -3.1107 0.6244 -14.4116 C.3 1 noname -0.0076 19 C8 -3.7117 0.4409 -15.8052 C.3 1 noname -0.0472 20 C9 -4.3506 -0.2573 -14.6001 C.3 1 noname -0.0472 21 C10 -1.7542 -0.0628 -14.1577 C.3 1 noname 0.1267 22 C11 2.9624 -5.2147 -1.0674 C.3 1 noname 0.1477 23 C12 -1.3181 0.2101 -12.7239 C.3 1 noname 0.0850 24 C13 1.7266 -0.3544 -4.9512 C.2 1 noname 0.0203 25 C14 1.1513 -0.6572 -6.2104 C.2 1 noname 0.0356 26 C15 0.4125 -0.3354 -11.3958 C.2 1 noname 0.0612 27 C16 1.5579 0.0313 -7.3277 C.2 1 noname 0.0037 28 C17 0.1118 -1.6888 -6.2372 C.3 1 noname -0.0348 29 C18 1.2127 -0.1065 -8.6956 C.2 1 noname 0.0104 30 C19 -0.0192 -1.2921 -10.4760 C.2 1 noname 0.0459 31 C20 1.2578 0.7169 -11.0187 C.2 1 noname 0.0379 32 C21 1.6354 0.8450 -9.6696 C.2 1 noname 0.0348 33 C22 0.4571 -1.2045 -9.1800 C.2 1 noname 0.0241 34 H1 3.2056 -3.8528 -3.3180 H 1 noname 0.0660 35 H2 0.8950 -4.0435 -3.0460 H 1 noname 0.0661 36 H3 2.0679 0.0894 -2.3398 H 1 noname 0.0525 37 H4 3.6138 -1.5273 -1.4930 H 1 noname 0.0646 38 H5 -0.4453 -3.2699 -1.2137 H 1 noname 0.0656 39 H6 0.6432 -0.7715 -0.7687 H 1 noname 0.0646 40 H7 -3.2878 1.6080 -13.9643 H 1 noname 0.0333 41 H8 -4.2242 1.3207 -16.1982 H 1 noname 0.0270 42 H9 -5.2988 0.1616 -14.2583 H 1 noname 0.0270 43 H10 -3.1143 -0.1730 -16.4841 H 1 noname 0.0270 44 H11 -4.2017 -1.3390 -14.5437 H 1 noname 0.0270 45 H12 -1.8184 -1.1491 -14.2936 H 1 noname 0.0688 46 H13 3.0541 -5.4718 -0.0112 H 1 noname 0.0883 47 H14 3.4549 -5.9856 -1.6643 H 1 noname 0.0883 48 H15 0.9269 -1.9345 -3.9819 H 1 noname 0.1318 49 H16 4.8341 -2.0865 -3.3265 H 1 noname 0.2106 50 H17 0.4384 -2.3570 0.6135 H 1 noname 0.2106 51 H18 -0.6077 -0.1176 -2.4830 H 1 noname 0.2106 52 H19 -2.0696 -0.1991 -12.0306 H 1 noname 0.0602 53 H20 -1.2139 1.2868 -12.5414 H 1 noname 0.0602 54 H21 2.2210 0.7735 -7.1750 H 1 noname 0.0634 55 H22 -0.8426 -1.2634 -6.5361 H 1 noname 0.0281 56 H23 -0.0467 -2.2910 -5.3689 H 1 noname 0.0281 57 H24 0.3529 -2.3377 -7.0792 H 1 noname 0.0281 58 H25 1.5665 1.3920 -11.7302 H 1 noname 0.0682 59 H26 0.2154 -2.0184 -8.6430 H 1 noname 0.0661 @BOND 1 21 1 1 2 2 30 1 3 3 32 1 4 4 12 1 5 4 22 1 6 5 13 1 7 5 22 1 8 15 6 1 9 6 49 1 10 16 7 1 11 7 50 1 12 17 8 1 13 8 51 1 14 9 23 1 15 9 26 1 16 10 24 2 17 14 11 1 18 11 24 1 19 11 48 1 20 12 13 1 21 12 15 1 22 12 34 1 23 13 16 1 24 13 35 1 25 14 15 1 26 14 17 1 27 14 36 1 28 15 37 1 29 16 17 1 30 16 38 1 31 17 39 1 32 18 19 1 33 18 20 1 34 18 21 1 35 18 40 1 36 19 20 1 37 19 41 1 38 19 43 1 39 20 42 1 40 20 44 1 41 21 23 1 42 21 45 1 43 22 46 1 44 22 47 1 45 23 52 1 46 23 53 1 47 24 25 1 48 25 27 2 49 25 28 1 50 26 30 2 51 26 31 1 52 27 29 1 53 27 54 1 54 28 55 1 55 28 56 1 56 28 57 1 57 29 32 1 58 29 33 2 59 30 33 1 60 31 32 2 61 31 58 1 62 33 59 1 @SUBSTRUCTURE 1 noname 1