@MOLECULE 71587395 49 54 1 SMALL USER_CHARGES @ATOM 1 F1 2.9025 1.6123 -3.1364 F 1 noname -0.2444 2 O1 1.2643 0.6326 -0.0182 O.3 1 noname -0.2586 3 O2 1.4635 -0.6425 -4.4544 O.3 1 noname -0.3871 4 O3 0.7258 -0.4909 2.6591 O.3 1 noname -0.2766 5 N1 -0.5158 -2.7292 -3.6399 N.3 1 noname -0.2968 6 C1 0.8059 -0.6312 -2.0769 C.3 1 noname 0.0699 7 C2 1.6196 -1.3505 -3.2259 C.3 1 noname 0.0931 8 C3 0.9572 -2.7823 -3.3638 C.3 1 noname 0.0435 9 C4 1.4041 0.6874 -1.4709 C.3 1 noname 0.1081 10 C5 -0.7220 -0.4692 -2.4213 C.3 1 noname -0.0250 11 C6 0.9114 -1.4547 -0.8739 C.2 1 noname -0.0131 12 C7 3.1681 -1.3819 -3.0277 C.3 1 noname -0.0187 13 C8 1.0737 -3.6574 -2.0636 C.3 1 noname 0.0180 14 C9 -1.2803 -1.4585 -3.4728 C.3 1 noname -0.0003 15 C10 2.8760 0.9573 -1.9246 C.3 1 noname 0.1279 16 C11 3.7465 -0.3211 -2.0521 C.3 1 noname -0.0162 17 C12 0.9404 -2.8790 -0.8112 C.2 1 noname -0.0532 18 C13 -0.7840 -3.2887 -4.9638 C.3 1 noname 0.0015 19 C14 0.9772 -0.6586 0.2747 C.2 1 noname 0.0278 20 C15 -0.3087 -4.7423 -5.0089 C.3 1 noname -0.0285 21 C16 -0.5893 -5.3279 -6.3943 C.3 1 noname -0.0489 22 C17 -1.5103 -5.6655 -5.2202 C.3 1 noname -0.0489 23 C18 0.8298 -3.4842 0.4773 C.2 1 noname -0.0629 24 C19 0.8011 -1.2602 1.5523 C.2 1 noname 0.0191 25 C20 0.7041 -2.6841 1.6592 C.2 1 noname -0.0263 26 H1 1.4278 -3.3338 -4.1833 H 1 noname 0.0500 27 H2 0.8268 1.5610 -1.7844 H 1 noname 0.0650 28 H3 -1.3102 -0.5409 -1.5065 H 1 noname 0.0291 29 H4 -0.8845 0.5253 -2.8369 H 1 noname 0.0291 30 H5 3.4730 -2.3772 -2.7045 H 1 noname 0.0298 31 H6 3.5941 -1.2162 -4.0173 H 1 noname 0.0298 32 H7 0.3183 -4.4429 -2.0854 H 1 noname 0.0333 33 H8 2.0386 -4.1619 -2.0131 H 1 noname 0.0333 34 H9 -2.3201 -1.6879 -3.2396 H 1 noname 0.0431 35 H10 -1.2325 -0.9593 -4.4406 H 1 noname 0.0431 36 H11 3.3382 1.6345 -1.2066 H 1 noname 0.0688 37 H12 3.8814 -0.7684 -1.0674 H 1 noname 0.0298 38 H13 4.7472 -0.0495 -2.3880 H 1 noname 0.0298 39 H14 -1.8546 -3.2502 -5.1645 H 1 noname 0.0433 40 H15 -0.2518 -2.7089 -5.7179 H 1 noname 0.0433 41 H16 0.7260 -5.0252 -4.8151 H 1 noname 0.0316 42 H17 1.9711 -1.0958 -5.1595 H 1 noname 0.2109 43 H18 -1.0612 -4.5704 -7.0201 H 1 noname 0.0270 44 H19 0.0683 -6.1232 -6.7453 H 1 noname 0.0270 45 H20 -2.4197 -5.0684 -5.2884 H 1 noname 0.0270 46 H21 -1.4575 -6.7425 -5.0607 H 1 noname 0.0270 47 H22 0.8405 -4.5010 0.5575 H 1 noname 0.0626 48 H23 0.5474 -3.1241 2.5659 H 1 noname 0.0651 49 H24 0.8099 0.4525 2.4075 H 1 noname 0.2183 @BOND 1 15 1 1 2 2 9 1 3 2 19 1 4 7 3 1 5 3 42 1 6 4 24 1 7 4 49 1 8 5 8 1 9 5 14 1 10 5 18 1 11 6 7 1 12 6 9 1 13 6 10 1 14 6 11 1 15 7 8 1 16 7 12 1 17 8 13 1 18 8 26 1 19 9 15 1 20 9 27 1 21 10 14 1 22 10 28 1 23 10 29 1 24 11 17 2 25 11 19 1 26 12 16 1 27 12 30 1 28 12 31 1 29 13 17 1 30 13 32 1 31 13 33 1 32 14 34 1 33 14 35 1 34 15 16 1 35 15 36 1 36 16 37 1 37 16 38 1 38 17 23 1 39 18 20 1 40 18 39 1 41 18 40 1 42 19 24 2 43 20 21 1 44 20 22 1 45 20 41 1 46 21 22 1 47 21 43 1 48 21 44 1 49 22 45 1 50 22 46 1 51 23 25 2 52 23 47 1 53 24 25 1 54 25 48 1 @SUBSTRUCTURE 1 noname 1