@MOLECULE ethyl 8-fluoro-5-[2-(~18~f)fluoroethyl]-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 0.9658 4.4483 0.4989 F 1 UNL1 -0.1994 2 F 5.6618 -1.1492 0.4141 F 1 UNL1 -0.1512 3 O 2.0488 1.6486 -1.7350 O.2 1 UNL1 -0.4868 4 O -4.2948 -0.9568 -0.0514 O.3 1 UNL1 -0.3435 5 O -3.2749 0.8735 0.7639 O.2 1 UNL1 -0.5571 6 N 0.5062 1.5965 -0.0864 N.am 1 UNL1 -0.4706 7 N 0.2044 -1.4622 -0.0913 N.ar 1 UNL1 -0.2624 8 N -1.8651 -2.2139 -0.5381 N.ar 1 UNL1 -0.2991 9 C -0.2041 0.8069 0.9211 C.3 1 UNL1 -0.0754 10 C -0.6787 -0.4708 0.3311 C.ar 1 UNL1 0.0517 11 C 1.6123 -1.3694 0.0055 C.ar 1 UNL1 0.1320 12 C 2.2668 -0.1524 -0.2398 C.ar 1 UNL1 -0.1153 13 C 1.5952 1.0800 -0.7625 C.2 1 UNL1 0.5705 14 C -0.2092 2.7460 -0.6543 C.3 1 UNL1 -0.1023 15 C -1.9602 -0.9542 0.0441 C.ar 1 UNL1 -0.0952 16 C -0.5690 -2.5162 -0.6217 C.ar 1 UNL1 0.0928 17 C 2.3372 -2.5133 0.3725 C.ar 1 UNL1 -0.1578 18 C 3.6520 -0.0753 -0.1017 C.ar 1 UNL1 -0.1393 19 C -0.2709 3.9051 0.3603 C.3 1 UNL1 -0.0696 20 C 3.7177 -2.4448 0.5096 C.ar 1 UNL1 -0.1669 21 C 4.3481 -1.2214 0.2766 C.ar 1 UNL1 0.1830 22 C -3.2097 -0.2445 0.2954 C.2 1 UNL1 0.6260 23 C -5.5598 -0.3007 0.1667 C.3 1 UNL1 -0.0107 24 C -6.5752 -1.3384 -0.2804 C.3 1 UNL1 -0.4610 25 H -1.0772 1.3885 1.3284 H 1 UNL1 0.2039 26 H 0.4743 0.6228 1.7938 H 1 UNL1 0.1699 27 H 0.3061 3.0799 -1.5926 H 1 UNL1 0.1909 28 H -1.2434 2.4497 -0.9488 H 1 UNL1 0.1540 29 H -0.1434 -3.4126 -1.0408 H 1 UNL1 0.2006 30 H 1.8168 -3.4531 0.5635 H 1 UNL1 0.1754 31 H 4.1723 0.8678 -0.3094 H 1 UNL1 0.2049 32 H -0.6201 3.5617 1.3613 H 1 UNL1 0.1396 33 H -0.9698 4.6953 -0.0009 H 1 UNL1 0.1361 34 H 4.2913 -3.3279 0.7960 H 1 UNL1 0.1819 35 H -5.6456 -0.0414 1.2362 H 1 UNL1 0.1356 36 H -5.5859 0.6217 -0.4388 H 1 UNL1 0.1353 37 H -7.5992 -0.9674 -0.1669 H 1 UNL1 0.1520 38 H -6.4251 -1.6137 -1.3339 H 1 UNL1 0.1643 39 H -6.4800 -2.2655 0.3020 H 1 UNL1 0.1631 @BOND 1 3 13 2 2 27 14 1 3 38 24 1 4 29 16 1 5 28 14 1 6 13 12 1 7 13 6 am 8 14 6 1 9 14 19 1 10 16 8 ar 11 16 7 ar 12 8 15 ar 13 36 23 1 14 31 18 1 15 24 37 1 16 24 23 1 17 24 39 1 18 12 18 ar 19 12 11 ar 20 18 21 ar 21 7 11 1 22 7 10 ar 23 6 9 1 24 4 23 1 25 4 22 1 26 33 19 1 27 11 17 ar 28 15 22 1 29 15 10 ar 30 23 35 1 31 21 2 1 32 21 20 ar 33 22 5 2 34 10 9 1 35 19 1 1 36 19 32 1 37 17 20 ar 38 17 30 1 39 20 34 1 40 9 25 1 41 9 26 1