@MOLECULE selinexor 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.9034 -1.6337 0.2830 F 1 UNL111111111 0.0346 2 F -4.3045 -0.9736 -1.6289 F 1 UNL111111111 0.0116 3 F -3.7196 -2.8739 -0.9375 F 1 UNL111111111 0.0361 4 F -0.6043 3.0073 1.8288 F 1 UNL111111111 0.0431 5 F -2.2790 3.2015 0.5693 F 1 UNL111111111 0.0441 6 F -2.5262 2.5386 2.5573 F 1 UNL111111111 0.0077 7 O 3.8387 1.2838 1.0229 O.2 1 UNL111111111 -0.3129 8 N 3.0499 -2.2040 0.9171 N.ar 1 UNL111111111 0.0889 9 N 2.1560 -1.1958 0.6876 N.ar 1 UNL111111111 -0.4375 10 N 1.0360 -3.1203 1.1454 N.ar 1 UNL111111111 -0.4657 11 N 4.1496 0.6124 -1.1309 N.am 1 UNL111111111 -0.3738 12 N 3.3512 1.6265 -1.6712 N.pl3 1 UNL111111111 -0.7932 13 N 1.1349 2.3818 -1.7363 N.ar 1 UNL111111111 -0.5061 14 N 0.1960 -0.1283 -2.5398 N.ar 1 UNL111111111 -0.3373 15 C -0.3243 -1.0365 0.7186 C.ar 1 UNL111111111 -0.0843 16 C -2.6364 -0.9738 0.0552 C.ar 1 UNL111111111 0.5149 17 C -1.6069 0.9762 1.0314 C.ar 1 UNL111111111 0.4132 18 C -0.4000 0.2914 1.1520 C.ar 1 UNL111111111 -0.2292 19 C -1.4401 -1.6783 0.1701 C.ar 1 UNL111111111 -0.3541 20 C -2.7293 0.3492 0.4895 C.ar 1 UNL111111111 -0.5695 21 C 0.9318 -1.7550 0.8383 C.ar 1 UNL111111111 0.4877 22 C -3.8573 -1.6100 -0.5448 C.3 1 UNL111111111 -0.4072 23 C -1.7376 2.4009 1.4904 C.3 1 UNL111111111 -0.3842 24 C 2.3428 -3.3866 1.2030 C.ar 1 UNL111111111 -0.0734 25 C 4.4364 -1.9530 0.9504 C.2 1 UNL111111111 0.0092 26 C 5.0011 -0.7765 0.6474 C.2 1 UNL111111111 -0.5437 27 C 4.2386 0.4389 0.2624 C.2 1 UNL111111111 0.4328 28 C 1.9696 1.3168 -1.8251 C.ar 1 UNL111111111 0.6865 29 C 1.4853 0.0414 -2.2195 C.ar 1 UNL111111111 -0.2180 30 C -0.1502 2.1993 -2.0768 C.ar 1 UNL111111111 0.0229 31 C -0.6252 0.9360 -2.4830 C.ar 1 UNL111111111 -0.0257 32 H 0.4941 0.7662 1.5777 H 1 UNL111111111 0.2440 33 H -1.3428 -2.7212 -0.1573 H 1 UNL111111111 0.3201 34 H -3.6789 0.8907 0.4078 H 1 UNL111111111 0.3412 35 H 2.8047 -4.3357 1.4193 H 1 UNL111111111 0.2933 36 H 5.0217 -2.8322 1.2578 H 1 UNL111111111 0.2030 37 H 6.0825 -0.6250 0.7024 H 1 UNL111111111 0.3132 38 H 4.3062 -0.1475 -1.7837 H 1 UNL111111111 0.4037 39 H 3.5132 2.5150 -1.1531 H 1 UNL111111111 0.5502 40 H 2.1260 -0.8390 -2.2739 H 1 UNL111111111 0.2532 41 H -0.8000 3.0801 -2.0120 H 1 UNL111111111 0.1926 42 H -1.6672 0.7665 -2.7676 H 1 UNL111111111 0.1680 @BOND 1 1 22 1 2 2 22 1 3 3 22 1 4 4 23 1 5 5 23 1 6 6 23 1 7 7 27 2 8 8 9 ar 9 8 24 ar 10 8 25 1 11 9 21 ar 12 10 21 ar 13 10 24 ar 14 11 12 1 15 11 27 am 16 11 38 1 17 12 28 1 18 12 39 1 19 13 28 ar 20 13 30 ar 21 14 29 ar 22 14 31 ar 23 15 18 ar 24 15 19 ar 25 15 21 1 26 16 19 ar 27 16 20 ar 28 16 22 1 29 17 18 ar 30 17 20 ar 31 17 23 1 32 18 32 1 33 19 33 1 34 20 34 1 35 24 35 1 36 25 26 2 37 25 36 1 38 26 27 1 39 26 37 1 40 28 29 ar 41 29 40 1 42 30 31 ar 43 30 41 1 44 31 42 1