@MOLECULE emend 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 F 1.2360 -3.1755 2.2083 F 1 UNL11111111111 -0.1644 2 F 1.9817 -3.2804 -1.7103 F 1 UNL11111111111 -0.2003 3 F 4.0614 -2.9517 -1.7045 F 1 UNL11111111111 -0.1937 4 F 3.0265 -3.2257 0.1153 F 1 UNL11111111111 -0.1850 5 F 4.3755 3.1033 0.6087 F 1 UNL11111111111 -0.1998 6 F 4.4878 1.4773 1.9400 F 1 UNL11111111111 -0.1970 7 F 5.7834 1.5764 0.2748 F 1 UNL11111111111 -0.1948 8 O -1.4893 3.3960 -0.4871 O.3 1 UNL11111111111 -0.4309 9 O -0.7608 1.3211 -1.1650 O.3 1 UNL11111111111 -0.4170 10 O -7.7614 -1.5071 -0.3910 O.2 1 UNL11111111111 -0.4126 11 N -2.9832 1.2541 0.5703 N.3 1 UNL11111111111 -0.4402 12 N -4.3623 -0.9381 -0.5024 N.ar 1 UNL11111111111 -0.3557 13 N -6.0906 -0.4060 0.9020 N.ar 1 UNL11111111111 -0.5092 14 N -5.5696 -1.2874 -1.1802 N.ar 1 UNL11111111111 -0.4842 15 C -1.5995 1.4897 1.0449 C.3 1 UNL11111111111 -0.0155 16 C -0.8262 2.2267 -0.0936 C.3 1 UNL11111111111 0.2977 17 C -3.6306 2.5439 0.2228 C.3 1 UNL11111111111 -0.1636 18 C -2.8195 3.1728 -0.9225 C.3 1 UNL11111111111 -0.0267 19 C -0.8561 0.2178 1.3531 C.ar 1 UNL11111111111 -0.0851 20 C -3.8108 0.4798 1.5243 C.3 1 UNL11111111111 -0.1353 21 C 0.3021 1.5649 -2.0857 C.3 1 UNL11111111111 0.1262 22 C -4.8011 -0.2611 0.6790 C.ar 1 UNL11111111111 0.3533 23 C -1.0207 -0.9205 0.5599 C.ar 1 UNL11111111111 -0.0762 24 C 0.0458 0.2068 2.4204 C.ar 1 UNL11111111111 -0.1205 25 C 1.5187 0.8792 -1.5069 C.ar 1 UNL11111111111 -0.0845 26 C -0.1855 0.9569 -3.3972 C.3 1 UNL11111111111 -0.4634 27 C -0.3223 -2.0885 0.8478 C.ar 1 UNL11111111111 -0.2286 28 C 0.7750 -0.9418 2.7133 C.ar 1 UNL11111111111 -0.2197 29 C 2.4596 1.6362 -0.8092 C.ar 1 UNL11111111111 -0.0743 30 C 1.6553 -0.5080 -1.5830 C.ar 1 UNL11111111111 -0.0355 31 C 0.5630 -2.0717 1.9246 C.ar 1 UNL11111111111 0.2113 32 C 3.5210 0.9987 -0.1680 C.ar 1 UNL11111111111 -0.1451 33 C 2.7398 -1.1299 -0.9682 C.ar 1 UNL11111111111 -0.1545 34 C 3.6719 -0.3851 -0.2453 C.ar 1 UNL11111111111 -0.0363 35 C -6.6475 -1.1177 -0.2057 C.ar 1 UNL11111111111 0.6412 36 C 2.9398 -2.6161 -1.0655 C.3 1 UNL11111111111 0.5425 37 C 4.5180 1.7790 0.6410 C.3 1 UNL11111111111 0.5466 38 H -1.5948 2.1700 1.9422 H 1 UNL11111111111 0.1451 39 H 0.1689 2.5911 0.2357 H 1 UNL11111111111 0.1323 40 H -4.6736 2.3463 -0.1103 H 1 UNL11111111111 0.1597 41 H -3.6888 3.2444 1.0835 H 1 UNL11111111111 0.1389 42 H -3.1714 4.1869 -1.1809 H 1 UNL11111111111 0.1444 43 H -2.8080 2.5304 -1.8215 H 1 UNL11111111111 0.1430 44 H -4.3348 1.1008 2.2896 H 1 UNL11111111111 0.1718 45 H -3.1833 -0.2530 2.0940 H 1 UNL11111111111 0.1909 46 H 0.4619 2.6626 -2.2033 H 1 UNL11111111111 0.1390 47 H -1.6984 -0.8850 -0.2955 H 1 UNL11111111111 0.1717 48 H 0.1881 1.0992 3.0298 H 1 UNL11111111111 0.1563 49 H -0.9377 1.6014 -3.8707 H 1 UNL11111111111 0.1605 50 H 0.6372 0.8188 -4.1076 H 1 UNL11111111111 0.1602 51 H -0.6690 -0.0163 -3.2339 H 1 UNL11111111111 0.1656 52 H -0.4685 -2.9869 0.2490 H 1 UNL11111111111 0.1821 53 H 1.4864 -0.9544 3.5375 H 1 UNL11111111111 0.1779 54 H -3.7069 -0.4231 -1.1047 H 1 UNL11111111111 0.3316 55 H 2.3503 2.7232 -0.7698 H 1 UNL11111111111 0.1723 56 H 0.8972 -1.0875 -2.1181 H 1 UNL11111111111 0.1795 57 H -5.4917 -2.1637 -1.6906 H 1 UNL11111111111 0.3228 58 H 4.5098 -0.8824 0.2565 H 1 UNL11111111111 0.1852 @BOND 1 1 31 1 2 2 36 1 3 3 36 1 4 4 36 1 5 5 37 1 6 6 37 1 7 7 37 1 8 8 16 1 9 8 18 1 10 9 16 1 11 9 21 1 12 10 35 2 13 11 15 1 14 11 17 1 15 11 20 1 16 12 14 ar 17 12 22 ar 18 12 54 1 19 13 22 ar 20 13 35 ar 21 14 35 ar 22 14 57 1 23 15 16 1 24 15 19 1 25 15 38 1 26 16 39 1 27 17 18 1 28 17 40 1 29 17 41 1 30 18 42 1 31 18 43 1 32 19 23 ar 33 19 24 ar 34 20 22 1 35 20 44 1 36 20 45 1 37 21 25 1 38 21 26 1 39 21 46 1 40 23 27 ar 41 23 47 1 42 24 28 ar 43 24 48 1 44 25 29 ar 45 25 30 ar 46 26 49 1 47 26 50 1 48 26 51 1 49 27 31 ar 50 27 52 1 51 28 31 ar 52 28 53 1 53 29 32 ar 54 29 55 1 55 30 33 ar 56 30 56 1 57 32 34 ar 58 32 37 1 59 33 34 ar 60 33 36 1 61 34 58 1