@MOLECULE DB06879 52 55 1 SMALL USER_CHARGES @ATOM 1 F1 1.3026 0.3244 -3.9327 F 1 noname -0.1631 2 C1 0.0658 -0.0855 -3.9214 C.2 1 noname 0.0145 3 C2 -0.3354 -1.3190 -3.3223 C.2 1 noname 0.0519 4 C3 -0.8582 0.7230 -4.6348 C.2 1 noname 0.0042 5 N1 0.4588 -2.4613 -3.1956 N.3 1 noname -0.0921 6 C4 -1.7265 -1.5718 -3.1433 C.2 1 noname 0.0302 7 C5 -2.2066 0.3456 -4.6238 C.2 1 noname -0.0157 8 C6 0.2157 -3.4376 -2.0824 C.3 1 noname 0.1212 9 C7 1.0338 -2.8220 -4.5057 C.3 1 noname 0.0027 10 C8 -2.0830 -2.6400 -2.3381 C.2 1 noname -0.0452 11 C9 -2.6443 -0.7554 -3.8725 C.2 1 noname 0.0349 12 N2 -1.1792 -3.4370 -1.8581 N.2 1 noname -0.2421 13 C10 0.8070 -3.1187 -0.6473 C.3 1 noname -0.0004 14 C11 0.5783 -4.9408 -2.4435 C.3 1 noname -0.0004 15 C12 2.5356 -2.8612 -4.8142 C.3 1 noname -0.0519 16 N3 -3.3383 -2.8550 -2.0239 N.3 1 noname -0.1306 17 F2 -3.9124 -1.0025 -4.0093 F 1 noname -0.1608 18 C13 2.2398 -3.6802 -0.3622 C.3 1 noname 0.0097 19 C14 2.1186 -5.2219 -2.3105 C.3 1 noname 0.0097 20 N4 2.8403 -4.1753 -1.5826 N.3 1 noname -0.0673 21 C15 4.0130 -3.6600 -2.1264 C.2 1 noname 0.0314 22 O1 4.7349 -4.4817 -2.7415 O.2 1 noname -0.2941 23 C16 4.3809 -2.2954 -2.2067 C.2 1 noname 0.0645 24 C17 5.3834 -1.8743 -3.0109 C.2 1 noname 0.0424 25 C18 3.6442 -1.2426 -1.5059 C.3 1 noname -0.0152 26 N5 5.7150 -0.6103 -3.1786 N.2 1 noname -0.2100 27 C19 3.7326 0.2003 -2.0508 C.3 1 noname 0.0042 28 C20 5.0009 0.3788 -2.7337 C.2 1 noname 0.0844 29 C21 5.3788 1.5661 -2.9093 C.1 1 noname 0.0954 30 N6 5.7079 2.6552 -3.0524 N.1 1 noname -0.1739 31 H1 -0.5398 1.6127 -5.1783 H 1 noname 0.0654 32 H2 -2.9266 0.9177 -5.2091 H 1 noname 0.0654 33 H3 0.7038 -3.8531 -4.6323 H 1 noname 0.0432 34 H4 0.6431 -2.0408 -5.1578 H 1 noname 0.0432 35 H5 0.9121 -2.0346 -0.6065 H 1 noname 0.0318 36 H6 0.1542 -3.6300 0.0602 H 1 noname 0.0318 37 H7 0.0923 -5.5641 -1.6929 H 1 noname 0.0318 38 H8 0.3381 -5.0710 -3.4987 H 1 noname 0.0318 39 H9 3.0980 -2.8758 -3.8807 H 1 noname 0.0243 40 H10 2.7648 -3.7574 -5.3907 H 1 noname 0.0243 41 H11 2.8112 -1.9781 -5.3907 H 1 noname 0.0243 42 H12 -3.9691 -2.0756 -1.9029 H 1 noname 0.1258 43 H13 -3.6739 -3.7999 -1.9029 H 1 noname 0.1258 44 H14 2.8707 -2.8475 -0.0511 H 1 noname 0.0437 45 H15 2.1358 -4.5548 0.2800 H 1 noname 0.0437 46 H16 2.2323 -6.1134 -1.6938 H 1 noname 0.0437 47 H17 2.5395 -5.1972 -3.3157 H 1 noname 0.0437 48 H18 5.9678 -2.6086 -3.5653 H 1 noname 0.0844 49 H19 2.6016 -1.5412 -1.6145 H 1 noname 0.0322 50 H20 4.1045 -1.2193 -0.5181 H 1 noname 0.0322 51 H21 2.9658 0.3162 -2.8167 H 1 noname 0.0343 52 H22 3.7581 0.8788 -1.1981 H 1 noname 0.0343 @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 1 9 6 10 1 10 6 11 2 11 7 11 1 12 8 12 1 13 8 13 1 14 8 14 1 15 9 15 1 16 10 16 1 17 10 12 2 18 11 17 1 19 13 18 1 20 14 19 1 21 18 20 1 22 19 20 1 23 20 21 1 24 21 22 2 25 21 23 1 26 23 24 2 27 23 25 1 28 24 26 1 29 25 27 1 30 26 28 2 31 27 28 1 32 28 29 1 33 29 30 3 34 4 31 1 35 7 32 1 36 9 33 1 37 9 34 1 38 13 35 1 39 13 36 1 40 14 37 1 41 14 38 1 42 15 39 1 43 15 40 1 44 15 41 1 45 16 42 1 46 16 43 1 47 18 44 1 48 18 45 1 49 19 46 1 50 19 47 1 51 24 48 1 52 25 49 1 53 25 50 1 54 27 51 1 55 27 52 1 @SUBSTRUCTURE 1 noname 1