@MOLECULE 102144602 50 51 1 SMALL USER_CHARGES @ATOM 1 F1 0.5363 -5.0128 -5.3252 F 1 noname -0.2509 2 O1 0.5682 4.3302 0.3552 O.2 1 noname -0.2821 3 O2 2.8692 5.6631 -1.9574 O.2 1 noname -0.2923 4 N1 -0.2238 -0.0385 -0.0277 N.3 1 noname 0.0104 5 N2 2.2761 3.2317 -0.5983 N.3 1 noname -0.0580 6 N3 0.7026 0.8332 -0.3087 N.2 1 noname -0.2530 7 N4 4.9844 4.8988 -1.8165 N.3 1 noname -0.0851 8 C1 4.4724 3.4028 0.4726 C.3 1 noname -0.0227 9 C2 3.2805 4.1643 -0.1921 C.3 1 noname 0.0901 10 C3 -0.1384 -1.4231 -0.3234 C.3 1 noname -0.0212 11 C4 0.0280 -1.6351 -1.8409 C.3 1 noname -0.0353 12 C5 -1.2724 0.5814 0.5523 C.2 1 noname -0.0430 13 C6 -0.9796 1.9351 0.5769 C.2 1 noname 0.0230 14 C7 0.1155 -3.1408 -2.1536 C.3 1 noname -0.0492 15 C8 0.2904 2.0673 0.0365 C.2 1 noname 0.0703 16 C9 1.0290 3.2469 -0.0800 C.2 1 noname 0.0537 17 C10 3.9870 2.5572 1.6626 C.3 1 noname -0.0608 18 C11 5.5554 4.4163 1.0259 C.3 1 noname -0.0608 19 C12 0.2922 -3.3610 -3.6651 C.3 1 noname -0.0245 20 C13 3.6924 4.9255 -1.3779 C.2 1 noname 0.0414 21 C14 -2.4783 0.0831 1.0732 C.2 1 noname -0.0322 22 C15 -1.8990 2.8760 1.0848 C.2 1 noname -0.0222 23 C16 -3.4082 1.0122 1.5737 C.2 1 noname -0.0488 24 C17 -3.1215 2.3919 1.5694 C.2 1 noname -0.0508 25 C18 0.3801 -4.8546 -3.9780 C.3 1 noname 0.0895 26 H1 4.9051 2.7126 -0.2779 H 1 noname 0.0318 27 H2 2.8928 4.8441 0.5846 H 1 noname 0.0569 28 H3 -1.0375 -1.9592 -0.0082 H 1 noname 0.0490 29 H4 0.7081 -1.8571 0.2118 H 1 noname 0.0490 30 H5 -0.8297 -1.1911 -2.3618 H 1 noname 0.0283 31 H6 0.9448 -1.1332 -2.1692 H 1 noname 0.0283 32 H7 -0.8056 -3.6273 -1.8108 H 1 noname 0.0268 33 H8 0.9696 -3.5643 -1.6121 H 1 noname 0.0268 34 H9 2.5294 2.5144 -1.2081 H 1 noname 0.1322 35 H10 6.3973 3.8290 1.4170 H 1 noname 0.0234 36 H11 5.0640 5.0560 1.7639 H 1 noname 0.0234 37 H12 4.8331 2.0174 2.1045 H 1 noname 0.0234 38 H13 3.2379 1.8236 1.3541 H 1 noname 0.0234 39 H14 3.5452 3.2133 2.4256 H 1 noname 0.0234 40 H15 6.0004 5.1366 0.3126 H 1 noname 0.0234 41 H16 -0.5549 -2.9276 -4.1969 H 1 noname 0.0293 42 H17 1.1977 -2.8730 -4.0255 H 1 noname 0.0293 43 H18 -2.6785 -0.9174 1.0990 H 1 noname 0.0643 44 H19 -1.6884 3.8723 1.0920 H 1 noname 0.0630 45 H20 -4.2970 0.6756 1.9432 H 1 noname 0.0623 46 H21 -3.8103 3.0551 1.9256 H 1 noname 0.0622 47 H22 -0.5381 -5.3474 -3.6584 H 1 noname 0.0623 48 H23 1.2295 -5.2908 -3.4524 H 1 noname 0.0623 49 H24 5.5938 4.2481 -1.4123 H 1 noname 0.1271 50 H25 5.2761 5.4817 -2.5183 H 1 noname 0.1271 @BOND 1 1 25 1 2 2 16 2 3 3 20 2 4 4 6 1 5 4 10 1 6 4 12 1 7 5 9 1 8 5 16 1 9 5 34 1 10 6 15 2 11 7 20 1 12 7 49 1 13 7 50 1 14 8 9 1 15 8 17 1 16 8 18 1 17 8 26 1 18 9 20 1 19 9 27 1 20 10 11 1 21 10 28 1 22 10 29 1 23 11 14 1 24 11 30 1 25 11 31 1 26 12 13 1 27 12 21 2 28 13 15 1 29 13 22 2 30 14 19 1 31 14 32 1 32 14 33 1 33 15 16 1 34 17 37 1 35 17 38 1 36 17 39 1 37 18 35 1 38 18 36 1 39 18 40 1 40 19 25 1 41 19 41 1 42 19 42 1 43 21 23 1 44 21 43 1 45 22 24 1 46 22 44 1 47 23 24 2 48 23 45 1 49 24 46 1 50 25 47 1 51 25 48 1 @SUBSTRUCTURE 1 noname 1