@MOLECULE 136510 51 56 1 SMALL USER_CHARGES @ATOM 1 F1 1.5024 -0.4353 7.0514 F 1 noname -0.1586 2 C1 1.9596 0.3192 6.0952 C.2 1 noname 0.0564 3 C2 3.1858 1.0494 6.2492 C.2 1 noname 0.0373 4 C3 1.2615 0.4474 4.8644 C.2 1 noname 0.0244 5 C4 3.7995 1.1615 7.5154 C.2 1 noname 0.0125 6 C5 3.7631 1.8369 5.2030 C.2 1 noname -0.0087 7 C6 1.7955 1.2864 3.8226 C.2 1 noname -0.0128 8 N1 5.0444 1.6073 7.7645 N.2 1 noname -0.1875 9 N2 3.1697 1.0039 8.6912 N.3 1 noname 0.0253 10 C7 3.0546 1.9594 3.9903 C.2 1 noname -0.0296 11 C8 1.0938 1.4746 2.5801 C.2 1 noname 0.0614 12 C9 5.1369 1.7657 9.0883 C.2 1 noname 0.0773 13 N3 3.9694 1.3863 9.6279 N.2 1 noname -0.2568 14 C10 1.8623 0.5071 8.8702 C.3 1 noname -0.0228 15 C11 1.4790 2.1783 1.4527 C.2 1 noname 0.0207 16 C12 -0.1694 0.9889 2.2025 C.2 1 noname 0.0444 17 N4 2.6251 2.8595 1.1852 N.2 1 noname -0.1905 18 N5 0.5193 2.1314 0.5050 N.3 1 noname -0.0577 19 N6 -0.4607 1.4132 0.9575 N.2 1 noname -0.2970 20 C13 2.8168 3.5012 -0.0058 C.2 1 noname 0.0804 21 C14 0.6162 2.7431 -0.7130 C.2 1 noname -0.0349 22 N7 4.0291 4.1340 -0.1485 N.3 1 noname -0.0672 23 C15 1.8014 3.4674 -1.0129 C.2 1 noname 0.0220 24 C16 4.7539 4.6149 0.9806 C.2 1 noname 0.1415 25 C17 4.8403 4.1974 -1.3240 C.3 1 noname 0.0921 26 O1 4.3253 5.2591 1.9623 O.2 1 noname -0.2289 27 O2 6.0876 4.1821 0.7177 O.3 1 noname -0.1843 28 C18 4.7189 5.5057 -2.0449 C.2 1 noname 0.0079 29 C19 6.2229 3.9084 -0.6919 C.3 1 noname 0.0800 30 N8 4.2318 5.5120 -3.3461 N.2 1 noname -0.2286 31 C20 5.0363 6.7536 -1.4193 C.2 1 noname 0.0000 32 C21 4.0320 6.6477 -4.1124 C.2 1 noname 0.0513 33 C22 4.8501 7.9533 -2.1554 C.2 1 noname 0.0142 34 C23 4.3562 7.8836 -3.4882 C.2 1 noname 0.0574 35 F2 4.1958 8.9874 -4.1579 F 1 noname -0.1573 36 H1 0.3255 -0.0925 4.7208 H 1 noname 0.0660 37 H2 4.7249 2.3344 5.3275 H 1 noname 0.0631 38 H3 3.4759 2.5683 3.1905 H 1 noname 0.0629 39 H4 6.0069 2.1370 9.6298 H 1 noname 0.1079 40 H5 1.6474 0.4254 9.9356 H 1 noname 0.0454 41 H6 1.1483 1.1879 8.4066 H 1 noname 0.0454 42 H7 1.7806 -0.4760 8.4066 H 1 noname 0.0454 43 H8 -0.8361 0.3647 2.7974 H 1 noname 0.0864 44 H9 -0.2144 2.6572 -1.4137 H 1 noname 0.0815 45 H10 1.9257 3.9734 -1.9703 H 1 noname 0.0670 46 H11 4.5167 3.5099 -2.1054 H 1 noname 0.0569 47 H12 6.4279 2.8413 -0.7784 H 1 noname 0.0594 48 H13 6.9393 4.6339 -1.0773 H 1 noname 0.0594 49 H14 5.4140 6.7896 -0.3975 H 1 noname 0.0643 50 H15 3.6486 6.5743 -5.1301 H 1 noname 0.0870 51 H16 5.0838 8.9168 -1.7025 H 1 noname 0.0654 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 8 12 1 13 9 13 1 14 9 14 1 15 11 15 2 16 11 16 1 17 12 13 2 18 15 17 1 19 15 18 1 20 16 19 2 21 17 20 2 22 18 21 1 23 18 19 1 24 20 22 1 25 20 23 1 26 21 23 2 27 22 24 1 28 25 22 1 29 24 26 2 30 24 27 1 31 25 28 1 32 25 29 1 33 27 29 1 34 28 30 2 35 28 31 1 36 30 32 1 37 31 33 2 38 32 34 2 39 33 34 1 40 34 35 1 41 4 36 1 42 6 37 1 43 10 38 1 44 12 39 1 45 14 40 1 46 14 41 1 47 14 42 1 48 16 43 1 49 21 44 1 50 23 45 1 51 25 46 1 52 29 47 1 53 29 48 1 54 31 49 1 55 32 50 1 56 33 51 1 @SUBSTRUCTURE 1 noname 1