@MOLECULE 116070 60 63 1 SMALL USER_CHARGES @ATOM 1 F1 3.0668 -1.0774 2.8550 F 1 noname -0.1548 2 C1 1.8122 -0.7825 3.0324 C.2 1 noname 0.0796 3 C2 1.3463 -0.2376 4.2668 C.2 1 noname 0.0913 4 C3 0.8519 -0.9906 2.0038 C.2 1 noname 0.0265 5 C4 -0.0207 0.0729 4.5414 C.2 1 noname 0.0796 6 C5 2.3136 0.1513 5.3072 C.2 1 noname 0.0481 7 C6 -0.5354 -0.6724 2.2170 C.2 1 noname 0.0121 8 F2 -0.3906 0.5305 5.7017 F 1 noname -0.1548 9 C7 -0.9601 -0.1380 3.4968 C.2 1 noname 0.0265 10 O1 2.5828 -0.6118 6.2599 O.2 1 noname -0.2877 11 N1 2.9609 1.4919 5.1816 N.3 1 noname -0.0604 12 C8 -1.5209 -0.8906 1.1778 C.2 1 noname 0.0478 13 C9 3.6297 1.8041 6.4830 C.3 1 noname 0.0194 14 C10 2.2048 2.6025 4.4860 C.3 1 noname 0.0194 15 N2 -2.6148 -0.0564 1.2397 N.2 1 noname -0.2213 16 C11 -1.4779 -1.8933 0.1410 C.2 1 noname 0.0415 17 C12 2.8001 2.7334 7.4293 C.3 1 noname 0.0188 18 C13 1.8147 3.8361 5.3513 C.3 1 noname 0.0188 19 C14 -3.6913 -0.1308 0.4075 C.2 1 noname 0.0456 20 C15 -0.5326 -2.7893 -0.1106 C.1 1 noname -0.0099 21 C16 -2.6024 -1.9535 -0.7040 C.2 1 noname 0.0371 22 N3 1.6572 3.4482 6.7795 N.3 1 noname -0.0739 23 N4 -3.6522 -1.0996 -0.5519 N.2 1 noname -0.2300 24 C17 0.3093 -3.6147 -0.3707 C.1 1 noname -0.0268 25 C18 -2.6438 -2.9536 -1.7669 C.3 1 noname 0.0467 26 C19 0.5607 3.7218 7.4420 C.2 1 noname 0.0349 27 C20 1.2478 -4.5189 -0.6450 C.2 1 noname -0.0250 28 C21 -3.8514 -3.8697 -1.5584 C.3 1 noname -0.0597 29 O2 -0.3567 4.3056 6.8888 O.2 1 noname -0.3014 30 C22 2.5048 -4.4728 0.0355 C.2 1 noname 0.0133 31 C23 1.0291 -5.5525 -1.6147 C.2 1 noname -0.0239 32 N5 3.4427 -5.4368 -0.2857 N.2 1 noname -0.2618 33 C24 2.0115 -6.5372 -1.9302 C.2 1 noname -0.0301 34 C25 3.2394 -6.4336 -1.2171 C.2 1 noname 0.0185 35 N6 4.2151 -7.3207 -1.4550 N.3 1 noname -0.1129 36 C26 5.3638 -6.6440 -1.9142 C.3 1 noname -0.0101 37 H1 1.1809 -1.3960 1.0470 H 1 noname 0.0660 38 H2 -2.0060 0.1102 3.6772 H 1 noname 0.0660 39 H3 3.7172 0.8429 6.9896 H 1 noname 0.0449 40 H4 4.5267 2.3598 6.2097 H 1 noname 0.0449 41 H5 2.8979 2.9766 3.7325 H 1 noname 0.0449 42 H6 1.2635 2.1449 4.1814 H 1 noname 0.0449 43 H7 2.3335 2.0824 8.1686 H 1 noname 0.0449 44 H8 3.4747 3.5270 7.7504 H 1 noname 0.0449 45 H9 2.6552 4.5296 5.3247 H 1 noname 0.0449 46 H10 0.8278 4.1629 5.0236 H 1 noname 0.0449 47 H11 -4.5385 0.5483 0.5040 H 1 noname 0.1061 48 H12 -2.8058 -2.4009 -2.6923 H 1 noname 0.0329 49 H13 -1.7460 -3.5592 -1.6438 H 1 noname 0.0329 50 H14 0.4066 3.4550 8.4875 H 1 noname 0.1233 51 H15 -4.0265 -4.0026 -0.4908 H 1 noname 0.0234 52 H16 -4.7318 -3.4205 -2.0179 H 1 noname 0.0234 53 H17 -3.6560 -4.8386 -2.0179 H 1 noname 0.0234 54 H18 2.7433 -3.7175 0.7844 H 1 noname 0.0853 55 H19 0.0725 -5.5916 -2.1357 H 1 noname 0.0637 56 H20 1.8351 -7.3188 -2.6692 H 1 noname 0.0656 57 H21 4.1053 -8.3148 -1.3143 H 1 noname 0.1292 58 H22 5.9481 -6.2997 -1.0609 H 1 noname 0.0396 59 H23 5.9673 -7.3214 -2.5183 H 1 noname 0.0396 60 H24 5.0638 -5.7877 -2.5183 H 1 noname 0.0396 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 22 26 1 29 24 27 1 30 25 28 1 31 26 29 2 32 27 30 2 33 27 31 1 34 30 32 1 35 31 33 2 36 32 34 2 37 33 34 1 38 34 35 1 39 35 36 1 40 4 37 1 41 9 38 1 42 13 39 1 43 13 40 1 44 14 41 1 45 14 42 1 46 17 43 1 47 17 44 1 48 18 45 1 49 18 46 1 50 19 47 1 51 25 48 1 52 25 49 1 53 26 50 1 54 28 51 1 55 28 52 1 56 28 53 1 57 30 54 1 58 31 55 1 59 33 56 1 60 35 57 1 61 36 58 1 62 36 59 1 63 36 60 1 @SUBSTRUCTURE 1 noname 1