@MOLECULE FXR_10 55 59 0 0 0 SMALL NO_CHARGES @ATOM 1 C1 -2.7942 -10.6998 -2.8889 C.2 1 <0> 0.0000 2 C2 -0.1768 -4.0956 4.4873 C.ar 1 <0> 0.0000 3 C3 -1.8424 -5.6741 3.7314 C.ar 1 <0> 0.0000 4 C4 0.4452 -4.1548 3.2403 C.ar 1 <0> 0.0000 5 C5 -1.2203 -5.7333 2.4844 C.ar 1 <0> 0.0000 6 C6 -0.0019 -2.1515 0.0812 C.ar 1 <0> 0.0000 7 C7 -0.3950 -0.9149 -0.4335 C.ar 1 <0> 0.0000 8 C8 -3.5988 -9.5244 -2.9221 C.2 1 <0> 0.0000 9 C9 -1.8187 -2.0017 -2.0814 C.ar 1 <0> 0.0000 10 C10 -2.1287 -10.9051 -4.0774 C.2 1 <0> 0.0000 11 C11 -1.3206 -4.8553 4.7329 C.ar 1 <0> 0.0000 12 C12 -1.4261 -3.2286 -1.5675 C.ar 1 <0> 0.0000 13 C13 -0.0765 -4.9736 2.2388 C.ar 1 <0> 0.0000 14 C14 -0.5299 -3.2921 -0.5012 C.ar 1 <0> 0.0000 15 C15 -1.2967 -0.8401 -1.5067 C.ar 1 <0> 0.0000 16 C16 -3.5174 -8.8759 -4.1348 C.2 1 <0> 0.0000 17 C17 -1.0169 -5.4997 -0.9953 C.2 1 <0> 0.0000 18 C18 -1.9704 -4.7939 6.0327 C.2 1 <0> 0.0000 19 C19 -1.3928 -4.9059 -3.4434 C.3 1 <0> 0.0000 20 C20 -3.3422 -4.8431 -1.8013 C.3 1 <0> 0.0000 21 C21 -1.9558 -6.2121 -3.9993 C.3 1 <0> 0.0000 22 C22 -3.8434 -6.1514 -2.4090 C.3 1 <0> 0.0000 23 C23 -1.8313 -4.6260 -1.9952 C.3 1 <0> 0.0000 24 C24 0.5928 -5.0361 0.8963 C.3 1 <0> 0.0000 25 N1 -0.2936 -4.6298 -0.1690 N.am 1 <0> 0.0000 26 N2 -3.4370 -6.2280 -3.8403 N.pl3 1 <0> 0.0000 27 O1 -1.0195 -6.7220 -0.9547 O.2 1 <0> 0.0000 28 O2 -1.5967 -4.1057 6.9881 O.2 1 <0> 0.0000 29 O3 -3.8629 -7.2747 -6.1572 O.2 1 <0> 0.0000 30 O4 -5.6567 -7.4127 -4.3935 O.2 1 <0> 0.0000 31 O5 -3.0701 -5.5931 6.1030 O.3 1 <0> 0.0000 32 S1 -2.4746 -9.6837 -5.2267 S.3 1 <0> 0.0000 33 S2 -4.2605 -7.4073 -4.7726 S.o2 1 <0> 0.0000 34 Br1 -1.8096 0.8510 -2.1813 Br 1 <0> 0.0000 35 H1 -2.7073 -11.3609 -2.0364 H 1 <0> 0.0000 36 H2 0.2376 -3.4543 5.2608 H 1 <0> 0.0000 37 H3 -2.7330 -6.2705 3.9115 H 1 <0> 0.0000 38 H4 1.3358 -3.5593 3.0575 H 1 <0> 0.0000 39 H5 -1.6340 -6.3736 1.7096 H 1 <0> 0.0000 40 H6 0.6950 -2.1996 0.9104 H 1 <0> 0.0000 41 H7 0.0096 -0.0090 0.0118 H 1 <0> 0.0000 42 H8 -4.2057 -9.1743 -2.0970 H 1 <0> 0.0000 43 H9 -2.5164 -1.9524 -2.9117 H 1 <0> 0.0000 44 H10 -1.4555 -11.7135 -4.3257 H 1 <0> 0.0000 45 H11 -0.2980 -4.9292 -3.5192 H 1 <0> 0.0000 46 H12 -1.7306 -4.0888 -4.0952 H 1 <0> 0.0000 47 H13 -3.8964 -4.0191 -2.2709 H 1 <0> 0.0000 48 H14 -3.6029 -4.8229 -0.7352 H 1 <0> 0.0000 49 H15 -1.7042 -6.2768 -5.0639 H 1 <0> 0.0000 50 H16 -1.5177 -7.0811 -3.4974 H 1 <0> 0.0000 51 H17 -3.4556 -7.0186 -1.8645 H 1 <0> 0.0000 52 H18 -4.9369 -6.1730 -2.3403 H 1 <0> 0.0000 53 H19 1.4713 -4.3821 0.8720 H 1 <0> 0.0000 54 H20 0.9375 -6.0519 0.6760 H 1 <0> 0.0000 55 H21 -3.5163 -5.5581 6.9759 H 1 <0> 0.0000 @BOND 1 1 8 1 2 1 10 2 3 2 4 ar 4 2 11 ar 5 3 5 ar 6 3 11 ar 7 4 13 ar 8 5 13 ar 9 6 7 ar 10 6 14 ar 11 7 15 ar 12 8 16 2 13 9 12 ar 14 9 15 ar 15 10 32 1 16 11 18 1 17 12 14 ar 18 12 23 1 19 13 24 1 20 14 25 1 21 15 34 1 22 16 32 1 23 16 33 1 24 17 23 1 25 17 25 am 26 17 27 2 27 18 28 2 28 18 31 1 29 19 21 1 30 19 23 1 31 20 22 1 32 20 23 1 33 21 26 1 34 22 26 1 35 24 25 1 36 26 33 1 37 29 33 2 38 30 33 2 39 1 35 1 40 2 36 1 41 3 37 1 42 4 38 1 43 5 39 1 44 6 40 1 45 7 41 1 46 8 42 1 47 9 43 1 48 10 44 1 49 19 45 1 50 19 46 1 51 20 47 1 52 20 48 1 53 21 49 1 54 21 50 1 55 22 51 1 56 22 52 1 57 24 53 1 58 24 54 1 59 31 55 1