@MOLECULE FXR_66 77 81 0 0 0 SMALL NO_CHARGES @ATOM 1 C1 4.3554 -6.1587 -4.7033 C.ar 1 <0> 0.0000 2 C2 4.1875 -6.2744 -6.0786 C.ar 1 <0> 0.0000 3 C3 3.8158 -7.0328 0.8944 C.ar 1 <0> 0.0000 4 C4 3.7456 -4.2005 0.6469 C.ar 1 <0> 0.0000 5 C5 3.2405 -6.1185 -3.8734 C.ar 1 <0> 0.0000 6 C6 3.6582 -6.4330 -0.3664 C.ar 1 <0> 0.0000 7 C7 3.6274 -5.0443 -0.4579 C.ar 1 <0> 0.0000 8 C8 3.9364 -6.2053 2.0179 C.ar 1 <0> 0.0000 9 C9 3.9016 -4.8144 1.8940 C.ar 1 <0> 0.0000 10 C10 2.8941 -6.3460 -6.5704 C.ar 1 <0> 0.0000 11 C11 1.9895 -6.1968 -4.4638 C.ar 1 <0> 0.0000 12 C12 3.4072 -5.9984 -2.4419 C.2 1 <0> 0.0000 13 C13 4.6636 -2.6687 -2.2186 C.2 1 <0> 0.0000 14 C14 10.0619 -5.3358 -6.3947 C.2 1 <0> 0.0000 15 C15 -0.4953 -1.4425 -2.3530 C.3 1 <0> 0.0000 16 C16 0.7641 -0.5982 -2.1853 C.3 1 <0> 0.0000 17 C17 -0.3692 -2.7857 -1.6409 C.3 1 <0> 0.0000 18 C18 2.0129 -1.3542 -2.6331 C.3 1 <0> 0.0000 19 C19 0.8778 -3.5454 -2.0877 C.3 1 <0> 0.0000 20 C20 7.7513 -3.4079 -5.3782 C.3 1 <0> 0.0000 21 C21 8.3067 -4.4094 -3.1248 C.3 1 <0> 0.0000 22 C22 7.3666 -2.0929 -4.6987 C.3 1 <0> 0.0000 23 C23 7.9217 -3.0943 -2.4456 C.3 1 <0> 0.0000 24 C24 8.7928 -4.1845 -4.5623 C.3 1 <0> 0.0000 25 C25 2.1480 -2.7023 -1.9123 C.3 1 <0> 0.0000 26 C26 6.8968 -2.2940 -3.2549 C.3 1 <0> 0.0000 27 C27 1.3556 -6.5301 -8.3745 C.3 1 <0> 0.0000 28 C28 -0.3863 -6.2469 -4.3674 C.3 1 <0> 0.0000 29 C29 9.1211 -5.5161 -5.2352 C.3 1 <0> 0.0000 30 C30 3.3738 -3.4625 -2.4153 C.3 1 <0> 0.0000 31 N1 3.5202 -7.0084 -1.6087 N.2 1 <0> 0.0000 32 N2 1.7868 -6.3100 -5.7957 N.ar 1 <0> 0.0000 33 N3 3.4659 -4.7945 -1.7966 N.pl3 1 <0> 0.0000 34 N4 5.5956 -2.9234 -3.2139 N.am 1 <0> 0.0000 35 O1 4.8306 -1.8963 -1.2771 O.2 1 <0> 0.0000 36 O2 10.5377 -4.2812 -6.7875 O.2 1 <0> 0.0000 37 O3 10.3216 -6.5400 -6.9658 O.3 1 <0> 0.0000 38 O4 2.7026 -6.4604 -7.9224 O.3 1 <0> 0.0000 39 O5 0.8598 -6.1615 -3.6873 O.3 1 <0> 0.0000 40 F1 4.0874 -6.7573 3.2297 F 1 <0> 0.0000 41 F2 4.0207 -4.0527 2.9904 F 1 <0> 0.0000 42 H1 5.3608 -6.1009 -4.2941 H 1 <0> 0.0000 43 H2 5.0468 -6.3071 -6.7395 H 1 <0> 0.0000 44 H3 3.8442 -8.1124 1.0011 H 1 <0> 0.0000 45 H4 3.7186 -3.1209 0.5521 H 1 <0> 0.0000 46 H5 -1.3603 -0.8965 -1.9597 H 1 <0> 0.0000 47 H6 -0.6810 -1.6120 -3.4207 H 1 <0> 0.0000 48 H7 0.6661 0.3275 -2.7637 H 1 <0> 0.0000 49 H8 0.8716 -0.3074 -1.1330 H 1 <0> 0.0000 50 H9 -0.3278 -2.6222 -0.5570 H 1 <0> 0.0000 51 H10 -1.2608 -3.3918 -1.8382 H 1 <0> 0.0000 52 H11 1.9673 -1.5139 -3.7181 H 1 <0> 0.0000 53 H12 2.8983 -0.7365 -2.4407 H 1 <0> 0.0000 54 H13 0.9620 -4.4739 -1.5103 H 1 <0> 0.0000 55 H14 0.7646 -3.8357 -3.1402 H 1 <0> 0.0000 56 H15 6.8533 -4.0221 -5.5217 H 1 <0> 0.0000 57 H16 8.1475 -3.1922 -6.3778 H 1 <0> 0.0000 58 H17 9.0938 -4.8987 -2.5383 H 1 <0> 0.0000 59 H18 7.4449 -5.0887 -3.1222 H 1 <0> 0.0000 60 H19 8.2389 -1.4268 -4.7000 H 1 <0> 0.0000 61 H20 6.5874 -1.5949 -5.2884 H 1 <0> 0.0000 62 H21 7.5354 -3.3050 -1.4410 H 1 <0> 0.0000 63 H22 8.8262 -2.4864 -2.3158 H 1 <0> 0.0000 64 H23 9.7153 -3.5897 -4.5254 H 1 <0> 0.0000 65 H24 2.2875 -2.5080 -0.8403 H 1 <0> 0.0000 66 H25 6.7608 -1.3131 -2.7854 H 1 <0> 0.0000 67 H26 1.3401 -6.6189 -9.4635 H 1 <0> 0.0000 68 H27 0.8191 -5.6300 -8.0640 H 1 <0> 0.0000 69 H28 0.8773 -7.4075 -7.9328 H 1 <0> 0.0000 70 H29 -1.2020 -6.2080 -3.6413 H 1 <0> 0.0000 71 H30 -0.4309 -7.1817 -4.9319 H 1 <0> 0.0000 72 H31 -0.4739 -5.4032 -5.0561 H 1 <0> 0.0000 73 H32 9.5868 -6.1778 -4.5017 H 1 <0> 0.0000 74 H33 8.1950 -5.9666 -5.5985 H 1 <0> 0.0000 75 H34 3.2485 -3.6138 -3.4959 H 1 <0> 0.0000 76 H35 5.3531 -3.5821 -3.9472 H 1 <0> 0.0000 77 H36 10.9343 -6.4589 -7.7276 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 31 1 12 7 33 1 13 8 9 ar 14 8 40 1 15 9 41 1 16 10 32 ar 17 10 38 1 18 11 32 ar 19 11 39 1 20 12 31 2 21 12 33 1 22 13 30 1 23 13 34 am 24 13 35 2 25 14 29 1 26 14 36 2 27 14 37 1 28 15 16 1 29 15 17 1 30 16 18 1 31 17 19 1 32 18 25 1 33 19 25 1 34 20 22 1 35 20 24 1 36 21 23 1 37 21 24 1 38 22 26 1 39 23 26 1 40 24 29 1 41 25 30 1 42 26 34 1 43 27 38 1 44 28 39 1 45 30 33 1 46 1 42 1 47 2 43 1 48 3 44 1 49 4 45 1 50 15 46 1 51 15 47 1 52 16 48 1 53 16 49 1 54 17 50 1 55 17 51 1 56 18 52 1 57 18 53 1 58 19 54 1 59 19 55 1 60 20 56 1 61 20 57 1 62 21 58 1 63 21 59 1 64 22 60 1 65 22 61 1 66 23 62 1 67 23 63 1 68 24 64 1 69 25 65 1 70 26 66 1 71 27 67 1 72 27 68 1 73 27 69 1 74 28 70 1 75 28 71 1 76 28 72 1 77 29 73 1 78 29 74 1 79 30 75 1 80 34 76 1 81 37 77 1