@MOLECULE FXR_31 72 76 0 0 0 SMALL NO_CHARGES @ATOM 1 C1 -2.3095 2.5873 -6.9083 C.ar 1 <0> 0.0000 2 C2 -1.8574 1.6759 -7.8561 C.ar 1 <0> 0.0000 3 C3 -5.5068 5.0941 -2.9226 C.ar 1 <0> 0.0000 4 C4 -2.8629 5.3113 -1.8972 C.ar 1 <0> 0.0000 5 C5 -2.7558 2.1327 -5.6723 C.ar 1 <0> 0.0000 6 C6 -4.4577 4.3589 -3.4997 C.ar 1 <0> 0.0000 7 C7 -3.1735 4.4846 -2.9773 C.ar 1 <0> 0.0000 8 C8 -5.2183 5.9308 -1.8371 C.ar 1 <0> 0.0000 9 C9 -3.9191 6.0360 -1.3351 C.ar 1 <0> 0.0000 10 C10 -1.8718 0.3314 -7.5215 C.ar 1 <0> 0.0000 11 C11 -2.7302 0.7678 -5.4356 C.ar 1 <0> 0.0000 12 C12 -3.2273 3.0747 -4.6814 C.2 1 <0> 0.0000 13 C13 -0.6368 2.7948 -2.2484 C.2 1 <0> 0.0000 14 C14 1.7590 6.3404 -5.3851 C.3 1 <0> 0.0000 15 C15 2.1465 5.7127 -4.0499 C.3 1 <0> 0.0000 16 C16 0.2592 6.6078 -5.4651 C.3 1 <0> 0.0000 17 C17 1.3366 4.4499 -3.7648 C.3 1 <0> 0.0000 18 C18 -0.5539 5.3466 -5.1822 C.3 1 <0> 0.0000 19 C19 -1.7305 0.3820 -0.3095 C.3 1 <0> 0.0000 20 C20 0.1464 -0.7640 -1.5604 C.3 1 <0> 0.0000 21 C21 -1.4926 -0.5383 0.8834 C.3 1 <0> 0.0000 22 C22 0.3802 -1.6808 -0.3641 C.3 1 <0> 0.0000 23 C23 -0.1730 4.7170 -3.8355 C.3 1 <0> 0.0000 24 C24 -0.4546 0.5779 -1.1324 C.3 1 <0> 0.0000 25 C25 -0.8953 -1.8762 0.4538 C.3 1 <0> 0.0000 26 C26 -1.4670 -1.9529 -8.0450 C.3 1 <0> 0.0000 27 C27 -3.1028 -1.1402 -4.0657 C.3 1 <0> 0.0000 28 C28 -0.9603 3.4294 -3.6000 C.3 1 <0> 0.0000 29 N1 -4.4716 3.4788 -4.5575 N.2 1 <0> 0.0000 30 N2 -2.2981 -0.1479 -6.3315 N.ar 1 <0> 0.0000 31 N3 -2.4073 3.6522 -3.7523 N.pl3 1 <0> 0.0000 32 N4 -0.7172 1.4097 -2.2818 N.am 1 <0> 0.0000 33 O1 -0.3393 3.4594 -1.2583 O.2 1 <0> 0.0000 34 O2 -0.6040 -2.6390 1.6196 O.3 1 <0> 0.0000 35 O3 -1.4312 -0.5863 -8.4388 O.3 1 <0> 0.0000 36 O4 -3.1601 0.2711 -4.2319 O.3 1 <0> 0.0000 37 F1 -6.2046 6.6409 -1.2722 F 1 <0> 0.0000 38 F2 -3.6791 6.8458 -0.2944 F 1 <0> 0.0000 39 H1 -2.3076 3.6476 -7.1480 H 1 <0> 0.0000 40 H2 -1.5061 2.0144 -8.8247 H 1 <0> 0.0000 41 H3 -6.5195 5.0192 -3.3052 H 1 <0> 0.0000 42 H4 -1.8550 5.3939 -1.5068 H 1 <0> 0.0000 43 H5 2.3086 7.2780 -5.5251 H 1 <0> 0.0000 44 H6 2.0538 5.6703 -6.2021 H 1 <0> 0.0000 45 H7 3.2158 5.4722 -4.0530 H 1 <0> 0.0000 46 H8 1.9850 6.4391 -3.2440 H 1 <0> 0.0000 47 H9 -0.0121 7.3865 -4.7416 H 1 <0> 0.0000 48 H10 0.0069 6.9941 -6.4592 H 1 <0> 0.0000 49 H11 1.6129 3.6737 -4.4901 H 1 <0> 0.0000 50 H12 1.6027 4.0657 -2.7728 H 1 <0> 0.0000 51 H13 -1.6219 5.5954 -5.1905 H 1 <0> 0.0000 52 H14 -0.3904 4.6238 -5.9919 H 1 <0> 0.0000 53 H15 -2.5294 -0.0259 -0.9317 H 1 <0> 0.0000 54 H16 -2.0682 1.3561 0.0531 H 1 <0> 0.0000 55 H17 1.0997 -0.5805 -2.0643 H 1 <0> 0.0000 56 H18 -0.5075 -1.2633 -2.2798 H 1 <0> 0.0000 57 H19 -0.8166 -0.0373 1.5836 H 1 <0> 0.0000 58 H20 -2.4390 -0.7134 1.4054 H 1 <0> 0.0000 59 H21 0.7430 -2.6542 -0.7111 H 1 <0> 0.0000 60 H22 1.1630 -1.2436 0.2645 H 1 <0> 0.0000 61 H23 -0.4363 5.4240 -3.0374 H 1 <0> 0.0000 62 H24 0.2768 1.1243 -0.5347 H 1 <0> 0.0000 63 H25 -1.6317 -2.4351 -0.1293 H 1 <0> 0.0000 64 H26 -1.0923 -2.5775 -8.8596 H 1 <0> 0.0000 65 H27 -2.4935 -2.2350 -7.7978 H 1 <0> 0.0000 66 H28 -0.8327 -2.0861 -7.1654 H 1 <0> 0.0000 67 H29 -3.4704 -1.4059 -3.0716 H 1 <0> 0.0000 68 H30 -2.0714 -1.4807 -4.1876 H 1 <0> 0.0000 69 H31 -3.7324 -1.6132 -4.8230 H 1 <0> 0.0000 70 H32 -0.6597 2.7101 -4.3744 H 1 <0> 0.0000 71 H33 -0.9728 0.9605 -3.1562 H 1 <0> 0.0000 72 H34 -0.2280 -3.4781 1.3125 H 1 <0> 0.0000 @BOND 1 1 2 ar 2 1 5 ar 3 2 10 ar 4 3 6 ar 5 3 8 ar 6 4 7 ar 7 4 9 ar 8 5 11 ar 9 5 12 1 10 6 7 ar 11 6 29 1 12 7 31 1 13 8 9 ar 14 8 37 1 15 9 38 1 16 10 30 ar 17 10 35 1 18 11 30 ar 19 11 36 1 20 12 29 2 21 12 31 1 22 13 28 1 23 13 32 am 24 13 33 2 25 14 15 1 26 14 16 1 27 15 17 1 28 16 18 1 29 17 23 1 30 18 23 1 31 19 21 1 32 19 24 1 33 20 22 1 34 20 24 1 35 21 25 1 36 22 25 1 37 23 28 1 38 24 32 1 39 25 34 1 40 26 35 1 41 27 36 1 42 28 31 1 43 1 39 1 44 2 40 1 45 3 41 1 46 4 42 1 47 14 43 1 48 14 44 1 49 15 45 1 50 15 46 1 51 16 47 1 52 16 48 1 53 17 49 1 54 17 50 1 55 18 51 1 56 18 52 1 57 19 53 1 58 19 54 1 59 20 55 1 60 20 56 1 61 21 57 1 62 21 58 1 63 22 59 1 64 22 60 1 65 23 61 1 66 24 62 1 67 25 63 1 68 26 64 1 69 26 65 1 70 26 66 1 71 27 67 1 72 27 68 1 73 27 69 1 74 28 70 1 75 32 71 1 76 34 72 1