@MOLECULE xlr-11 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 F 0.6546 4.1894 1.1286 F 1 UNL1111 -0.2111 2 O 1.4911 -2.9213 0.2556 O.2 1 UNL1111 -0.4666 3 N -1.8836 -0.1543 -1.1677 N.ar 1 UNL1111 -0.2745 4 C 2.6518 0.3353 -0.0621 C.3 1 UNL1111 0.0422 5 C 3.6619 -0.8148 -0.0472 C.3 1 UNL1111 0.0659 6 C 2.3399 -0.9692 -0.7906 C.3 1 UNL1111 -0.3581 7 C 3.9033 -1.5941 1.2200 C.3 1 UNL1111 -0.4393 8 C 1.8924 0.6779 1.1954 C.3 1 UNL1111 -0.4439 9 C 2.9276 1.5652 -0.8936 C.3 1 UNL1111 -0.4427 10 C 4.9208 -0.7066 -0.8766 C.3 1 UNL1111 -0.4467 11 C 1.2571 -1.8656 -0.2872 C.2 1 UNL1111 0.5281 12 C -0.1029 -1.3889 -0.4974 C.ar 1 UNL1111 -0.2800 13 C -1.2867 -1.9908 0.0503 C.ar 1 UNL1111 -0.0142 14 C -0.5027 -0.2669 -1.2174 C.ar 1 UNL1111 0.0361 15 C -2.3933 -1.1830 -0.3627 C.ar 1 UNL1111 0.0787 16 C -1.5148 -3.1191 0.8435 C.ar 1 UNL1111 -0.0978 17 C -2.6465 0.9833 -1.6561 C.3 1 UNL1111 -0.0799 18 C -3.7068 -1.4843 0.0149 C.ar 1 UNL1111 -0.2128 19 C -2.8035 2.0677 -0.5719 C.3 1 UNL1111 -0.3026 20 C -2.8148 -3.4141 1.2119 C.ar 1 UNL1111 -0.1860 21 C -3.8961 -2.6043 0.8047 C.ar 1 UNL1111 -0.1243 22 C -1.5190 2.8862 -0.4041 C.3 1 UNL1111 -0.2590 23 C -1.6585 3.8776 0.7562 C.3 1 UNL1111 -0.3094 24 C -0.4830 4.8596 0.8029 C.3 1 UNL1111 -0.0548 25 H 2.3739 -0.9791 -1.8864 H 1 UNL1111 0.1755 26 H 5.3625 -1.6981 -1.0452 H 1 UNL1111 0.1527 27 H 4.7473 -0.2632 -1.8627 H 1 UNL1111 0.1425 28 H 5.6718 -0.0903 -0.3668 H 1 UNL1111 0.1483 29 H 3.0012 -1.6927 1.8392 H 1 UNL1111 0.1624 30 H 4.2153 -2.6232 0.9884 H 1 UNL1111 0.1600 31 H 4.6803 -1.1269 1.8345 H 1 UNL1111 0.1415 32 H 0.9631 1.2161 0.9690 H 1 UNL1111 0.1486 33 H 1.6056 -0.2084 1.7770 H 1 UNL1111 0.1591 34 H 2.4933 1.3198 1.8526 H 1 UNL1111 0.1548 35 H 3.3347 1.3302 -1.8828 H 1 UNL1111 0.1445 36 H 2.0158 2.1558 -1.0466 H 1 UNL1111 0.1442 37 H 3.6530 2.2170 -0.3876 H 1 UNL1111 0.1540 38 H 0.1063 0.4342 -1.7632 H 1 UNL1111 0.1711 39 H -0.6689 -3.7391 1.1485 H 1 UNL1111 0.1822 40 H -2.1492 1.4026 -2.5610 H 1 UNL1111 0.1525 41 H -3.6519 0.6270 -1.9856 H 1 UNL1111 0.1518 42 H -4.5379 -0.8658 -0.2999 H 1 UNL1111 0.1495 43 H -3.0814 1.5938 0.3919 H 1 UNL1111 0.1613 44 H -3.6484 2.7306 -0.8364 H 1 UNL1111 0.1446 45 H -3.0189 -4.2873 1.8284 H 1 UNL1111 0.1523 46 H -4.9012 -2.8756 1.1231 H 1 UNL1111 0.1463 47 H -0.6606 2.2084 -0.2144 H 1 UNL1111 0.1569 48 H -1.2821 3.4221 -1.3418 H 1 UNL1111 0.1347 49 H -2.6020 4.4491 0.6618 H 1 UNL1111 0.1443 50 H -1.7391 3.3261 1.7156 H 1 UNL1111 0.1601 51 H -0.6525 5.6504 1.5706 H 1 UNL1111 0.1288 52 H -0.3257 5.3581 -0.1811 H 1 UNL1111 0.1286 @BOND 1 1 24 1 2 2 11 2 3 3 14 ar 4 3 15 ar 5 3 17 1 6 4 5 1 7 4 6 1 8 4 8 1 9 4 9 1 10 5 6 1 11 5 7 1 12 5 10 1 13 6 11 1 14 6 25 1 15 7 29 1 16 7 30 1 17 7 31 1 18 8 32 1 19 8 33 1 20 8 34 1 21 9 35 1 22 9 36 1 23 9 37 1 24 10 26 1 25 10 27 1 26 10 28 1 27 11 12 1 28 12 13 ar 29 12 14 ar 30 13 15 ar 31 13 16 ar 32 14 38 1 33 15 18 ar 34 16 20 ar 35 16 39 1 36 17 19 1 37 17 40 1 38 17 41 1 39 18 21 ar 40 18 42 1 41 19 22 1 42 19 43 1 43 19 44 1 44 20 21 ar 45 20 45 1 46 21 46 1 47 22 23 1 48 22 47 1 49 22 48 1 50 23 24 1 51 23 49 1 52 23 50 1 53 24 51 1 54 24 52 1