atom -4.676856 8.549559 2.493945 1 ret.c1 -0.037374 26.171597 1056.904663 12.000000 ; mompar 1 5.343000 10.126000; atom -4.304406 7.100149 2.337232 2 ret.c2 -0.094471 26.171597 1056.904663 12.000000 ; mompar 2 5.343000 10.126000; atom -3.120606 6.560221 2.727388 3 ret.c3 -0.054802 26.171597 1056.904663 12.000000 ; mompar 3 5.343000 10.126000; atom -2.921982 5.092644 2.490277 4 ret.c4 -0.089646 26.171597 1056.904663 12.000000 ; mompar 4 5.343000 10.126000; atom -1.733157 4.456129 2.444101 5 ret.c5 -0.088092 26.171597 1056.904663 12.000000 ; mompar 5 5.343000 10.126000; atom -1.663223 2.984444 2.204066 6 ret.c6 -0.089117 26.171597 1056.904663 12.000000 ; mompar 6 5.343000 10.126000; atom -0.548584 2.215546 2.061714 7 ret.c7 -0.051636 26.171597 1056.904663 12.000000 ; mompar 7 5.343000 10.126000; atom -0.757648 0.749223 1.812823 8 ret.c8 -0.088680 26.171597 1056.904663 12.000000 ; mompar 8 5.343000 10.126000; atom 0.214952 -0.143946 1.530852 9 ret.c9 -0.088316 26.171597 1056.904663 12.000000 ; mompar 9 5.343000 10.126000; atom -0.058646 -1.603965 1.302160 10 ret.c10 -0.053520 26.171597 1056.904663 12.000000 ; mompar 10 5.343000 10.126000; atom -0.990548 -2.037897 0.381870 11 ret.c11 -0.052118 26.171597 1056.904663 12.000000 ; mompar 11 5.343000 10.126000; atom -1.335576 -3.508877 0.217809 12 ret.c12 -0.113914 26.171597 1056.904663 12.000000 ; mompar 12 5.343000 10.126000; atom -0.302885 -4.481459 0.784861 13 ret.c13 -0.113250 26.171597 1056.904663 12.000000 ; mompar 13 5.343000 10.126000; atom 0.142071 -4.018445 2.168630 14 ret.c14 -0.113275 26.171597 1056.904663 12.000000 ; mompar 14 5.343000 10.126000; atom 0.773457 -2.598672 2.147572 15 ret.c15 -0.046597 26.171597 1056.904663 12.000000 ; mompar 15 5.343000 10.126000; atom 2.205010 -2.662531 1.568666 16 ret.c16 -0.149096 26.171597 1056.904663 12.000000 ; mompar 16 5.343000 10.126000; atom 0.866094 -2.138059 3.622710 17 ret.c17 -0.149390 26.171597 1056.904663 12.000000 ; mompar 17 5.343000 10.126000; atom -1.758880 -1.115662 -0.547222 18 ret.c18 -0.150579 26.171597 1056.904663 12.000000 ; mompar 18 5.343000 10.126000; atom 0.866320 2.754061 2.134460 19 ret.c19 -0.149998 26.171597 1056.904663 12.000000 ; mompar 19 5.343000 10.126000; atom -2.060209 7.426023 3.377673 20 ret.c20 -0.150861 26.171597 1056.904663 12.000000 ; mompar 20 5.343000 10.126000; atom -5.993128 8.770289 1.957671 21 ret.o1 -0.649072 14.852336 450.281281 15.999790 ; mompar 21 8.741000 13.364000; atom -6.607755 8.117501 2.473958 22 ret.ho1 0.250693 2.373183 13.424753 1.008000 ; mompar 22 4.528000 13.890400; atom -4.671227 8.836462 3.570365 23 ret.1h1 0.073903 7.130669 121.200447 1.008000 ; mompar 23 4.528000 13.890400; atom -3.951736 9.189339 1.940532 24 ret.2h1 0.077965 7.130669 121.200447 1.008000 ; mompar 24 4.528000 13.890400; atom -5.052188 6.460673 1.866917 25 ret.h2 0.079107 7.130669 121.200447 1.008000 ; mompar 25 4.528000 13.890400; atom -3.822359 4.499476 2.322579 26 ret.h4 0.077635 7.130669 121.200447 1.008000 ; mompar 26 4.528000 13.890400; atom -0.824964 5.031446 2.564775 27 ret.h5 0.078455 7.130669 121.200447 1.008000 ; mompar 27 4.528000 13.890400; atom -2.631853 2.487066 2.129710 28 ret.h6 0.078730 7.130669 121.200447 1.008000 ; mompar 28 4.528000 13.890400; atom -1.778460 0.368596 1.866365 29 ret.h8 0.079897 7.130669 121.200447 1.008000 ; mompar 29 4.528000 13.890400; atom 1.252768 0.176019 1.506712 30 ret.h9 0.079448 7.130669 121.200447 1.008000 ; mompar 30 4.528000 13.890400; atom -1.462956 -3.754467 -0.862205 31 ret.1h12 0.079634 7.130669 121.200447 1.008000 ; mompar 31 4.528000 13.890400; atom -2.317034 -3.677804 0.719064 32 ret.2h12 0.080772 7.130669 121.200447 1.008000 ; mompar 32 4.528000 13.890400; atom 0.572168 -4.546625 0.098076 33 ret.1h13 0.080435 7.130669 121.200447 1.008000 ; mompar 33 4.528000 13.890400; atom -0.752837 -5.499641 0.855989 34 ret.2h13 0.079210 7.130669 121.200447 1.008000 ; mompar 34 4.528000 13.890400; atom -0.760508 -4.022906 2.826527 35 ret.1h14 0.080898 7.130669 121.200447 1.008000 ; mompar 35 4.528000 13.890400; atom 0.856839 -4.763837 2.590253 36 ret.2h14 0.079584 7.130669 121.200447 1.008000 ; mompar 36 4.528000 13.890400; atom 2.184798 -2.913357 0.484229 37 ret.1h16 0.081921 7.130669 121.200447 1.008000 ; mompar 37 4.528000 13.890400; atom 2.816056 -3.430991 2.095141 38 ret.2h16 0.081788 7.130669 121.200447 1.008000 ; mompar 38 4.528000 13.890400; atom 2.727199 -1.685015 1.674837 39 ret.3h16 0.081086 7.130669 121.200447 1.008000 ; mompar 39 4.528000 13.890400; atom -0.153794 -1.987703 4.046323 40 ret.1h17 0.081833 7.130669 121.200447 1.008000 ; mompar 40 4.528000 13.890400; atom 1.399499 -2.892218 4.246325 41 ret.2h17 0.081745 7.130669 121.200447 1.008000 ; mompar 41 4.528000 13.890400; atom 1.417517 -1.174865 3.717153 42 ret.3h17 0.081835 7.130669 121.200447 1.008000 ; mompar 42 4.528000 13.890400; atom -1.720387 -1.508478 -1.587996 43 ret.1h18 0.081163 7.130669 121.200447 1.008000 ; mompar 43 4.528000 13.890400; atom -2.822529 -1.068606 -0.222936 44 ret.2h18 0.081639 7.130669 121.200447 1.008000 ; mompar 44 4.528000 13.890400; atom -1.350539 -0.083501 -0.592922 45 ret.3h18 0.082502 7.130669 121.200447 1.008000 ; mompar 45 4.528000 13.890400; atom 1.419261 2.209657 2.932312 46 ret.1h19 0.081770 7.130669 121.200447 1.008000 ; mompar 46 4.528000 13.890400; atom 1.371631 2.581131 1.158175 47 ret.2h19 0.081448 7.130669 121.200447 1.008000 ; mompar 47 4.528000 13.890400; atom 0.942238 3.835728 2.360736 48 ret.3h19 0.080221 7.130669 121.200447 1.008000 ; mompar 48 4.528000 13.890400; atom -1.687017 8.172143 2.640838 49 ret.1h20 0.079463 7.130669 121.200447 1.008000 ; mompar 49 4.528000 13.890400; atom -2.497836 7.963820 4.248337 50 ret.2h20 0.078991 7.130669 121.200447 1.008000 ; mompar 50 4.528000 13.890400; atom -1.198004 6.843085 3.762639 51 ret.3h20 0.080032 7.130669 121.200447 1.008000 ; mompar 51 4.528000 13.890400; bond 21 22 1.033746 529.652588 ; bond 21 1 1.436155 437.869598 ; bond 1 23 1.112599 352.394226 ; bond 1 24 1.112599 352.394226 ; bond 1 2 1.489000 289.684235 ; bond 2 25 1.087584 335.354706 ; bond 2 3 1.328833 362.280823 ; bond 3 20 1.489000 289.684235 ; bond 3 4 1.464000 270.915161 ; bond 4 26 1.087584 335.354706 ; bond 4 5 1.328833 362.280823 ; bond 5 27 1.087584 335.354706 ; bond 5 6 1.464000 270.915161 ; bond 6 7 1.328833 362.280823 ; bond 6 28 1.087584 335.354706 ; bond 7 19 1.489000 289.684235 ; bond 7 8 1.464000 270.915161 ; bond 8 29 1.087584 335.354706 ; bond 8 9 1.328833 362.280823 ; bond 9 30 1.087584 335.354706 ; bond 9 10 1.464000 270.915161 ; bond 10 15 1.489000 289.684235 ; bond 10 11 1.328833 362.280823 ; bond 11 18 1.489000 289.684235 ; bond 11 12 1.489000 289.684235 ; bond 12 31 1.112599 352.394226 ; bond 12 32 1.112599 352.394226 ; bond 12 13 1.514000 310.015839 ; bond 13 33 1.112599 352.394226 ; bond 13 34 1.112599 352.394226 ; bond 13 14 1.514000 310.015839 ; bond 14 35 1.112599 352.394226 ; bond 14 36 1.112599 352.394226 ; bond 14 15 1.514000 310.015839 ; bond 15 17 1.514000 310.015839 ; bond 15 16 1.514000 310.015839 ; bond 16 37 1.112599 352.394226 ; bond 16 38 1.112599 352.394226 ; bond 16 39 1.112599 352.394226 ; bond 17 40 1.112599 352.394226 ; bond 17 41 1.112599 352.394226 ; bond 17 42 1.112599 352.394226 ; bond 18 43 1.112599 352.394226 ; bond 18 44 1.112599 352.394226 ; bond 18 45 1.112599 352.394226 ; bond 19 46 1.112599 352.394226 ; bond 19 47 1.112599 352.394226 ; bond 19 48 1.112599 352.394226 ; bond 20 49 1.112599 352.394226 ; bond 20 50 1.112599 352.394226 ; bond 20 51 1.112599 352.394226 ; angle 21 1 23 60.563637 109.470004 ; angle 21 1 24 60.563637 109.470004 ; angle 21 1 2 67.744835 109.470004 ; angle 23 1 24 41.660091 109.470004 ; angle 23 1 2 40.688461 109.470004 ; angle 24 1 2 40.688461 109.470004 ; angle 1 2 25 40.926056 120.000005 ; angle 1 2 3 57.647041 120.000005 ; angle 25 2 3 47.406601 120.000005 ; angle 2 3 20 57.647041 120.000005 ; angle 2 3 4 53.067726 120.000005 ; angle 20 3 4 48.257420 120.000005 ; angle 3 4 26 37.869324 120.000005 ; angle 3 4 5 53.067726 120.000005 ; angle 26 4 5 47.406601 120.000005 ; angle 4 5 27 47.406601 120.000005 ; angle 4 5 6 53.067726 120.000005 ; angle 27 5 6 37.869324 120.000005 ; angle 5 6 7 53.067726 120.000005 ; angle 5 6 28 37.869324 120.000005 ; angle 7 6 28 47.406601 120.000005 ; angle 6 7 19 57.647041 120.000005 ; angle 6 7 8 53.067726 120.000005 ; angle 19 7 8 48.257420 120.000005 ; angle 7 8 29 37.869324 120.000005 ; angle 7 8 9 53.067726 120.000005 ; angle 29 8 9 47.406601 120.000005 ; angle 8 9 30 47.406601 120.000005 ; angle 8 9 10 53.067726 120.000005 ; angle 30 9 10 37.869324 120.000005 ; angle 9 10 15 48.257420 120.000005 ; angle 9 10 11 53.067726 120.000005 ; angle 15 10 11 57.647041 120.000005 ; angle 10 11 18 57.647041 120.000005 ; angle 10 11 12 57.647041 120.000005 ; angle 18 11 12 52.575420 120.000005 ; angle 11 12 31 40.688461 109.470004 ; angle 11 12 32 40.688461 109.470004 ; angle 11 12 13 50.398121 109.470004 ; angle 31 12 32 41.660091 109.470004 ; angle 31 12 13 43.831009 109.470004 ; angle 32 12 13 43.831009 109.470004 ; angle 12 13 33 43.831009 109.470004 ; angle 12 13 34 43.831009 109.470004 ; angle 12 13 14 54.789776 109.470004 ; angle 33 13 34 41.660091 109.470004 ; angle 33 13 14 43.831009 109.470004 ; angle 34 13 14 43.831009 109.470004 ; angle 13 14 35 43.831009 109.470004 ; angle 13 14 36 43.831009 109.470004 ; angle 13 14 15 54.789776 109.470004 ; angle 35 14 36 41.660091 109.470004 ; angle 35 14 15 43.831009 109.470004 ; angle 36 14 15 43.831009 109.470004 ; angle 10 15 14 50.398121 109.470004 ; angle 10 15 17 50.398121 109.470004 ; angle 10 15 16 50.398121 109.470004 ; angle 14 15 17 54.789776 109.470004 ; angle 14 15 16 54.789776 109.470004 ; angle 17 15 16 54.789776 109.470004 ; angle 15 16 37 43.831009 109.470004 ; angle 15 16 38 43.831009 109.470004 ; angle 15 16 39 43.831009 109.470004 ; angle 37 16 38 41.660091 109.470004 ; angle 37 16 39 41.660091 109.470004 ; angle 38 16 39 41.660091 109.470004 ; angle 15 17 40 43.831009 109.470004 ; angle 15 17 41 43.831009 109.470004 ; angle 15 17 42 43.831009 109.470004 ; angle 40 17 41 41.660091 109.470004 ; angle 40 17 42 41.660091 109.470004 ; angle 41 17 42 41.660091 109.470004 ; angle 11 18 43 40.688461 109.470004 ; angle 11 18 44 40.688461 109.470004 ; angle 11 18 45 40.688461 109.470004 ; angle 43 18 44 41.660091 109.470004 ; angle 43 18 45 41.660091 109.470004 ; angle 44 18 45 41.660091 109.470004 ; angle 7 19 46 40.688461 109.470004 ; angle 7 19 47 40.688461 109.470004 ; angle 7 19 48 40.688461 109.470004 ; angle 46 19 47 41.660091 109.470004 ; angle 46 19 48 41.660091 109.470004 ; angle 47 19 48 41.660091 109.470004 ; angle 3 20 49 40.688461 109.470004 ; angle 3 20 50 40.688461 109.470004 ; angle 3 20 51 40.688461 109.470004 ; angle 49 20 50 41.660091 109.470004 ; angle 49 20 51 41.660091 109.470004 ; angle 50 20 51 41.660091 109.470004 ; angle 1 21 22 62.104462 104.510003 ; hybrid 1 25 3 2 150.000000 0.000000 ; hybrid 2 20 4 3 150.000000 0.000000 ; hybrid 3 26 5 4 150.000000 0.000000 ; hybrid 4 27 6 5 150.000000 0.000000 ; hybrid 5 7 28 6 150.000000 0.000000 ; hybrid 6 19 8 7 150.000000 0.000000 ; hybrid 7 29 9 8 150.000000 0.000000 ; hybrid 8 30 10 9 150.000000 0.000000 ; hybrid 9 15 11 10 150.000000 0.000000 ; hybrid 10 18 12 11 150.000000 0.000000 ; torsion 22 21 1 23 0.053154 3 0.000000 ; torsion 22 21 1 24 0.053154 3 0.000000 ; torsion 22 21 1 2 0.053154 3 0.000000 ; torsion 21 1 2 25 0.166667 6 180.000007 ; torsion 21 1 2 3 0.166667 6 180.000007 ; torsion 23 1 2 25 0.166667 6 180.000007 ; torsion 23 1 2 3 0.166667 6 180.000007 ; torsion 24 1 2 25 0.166667 6 180.000007 ; torsion 24 1 2 3 0.166667 6 180.000007 ; torsion 1 2 3 20 9.743388 2 180.000007 ; torsion 1 2 3 4 9.743388 2 180.000007 ; torsion 25 2 3 20 9.743388 2 180.000007 ; torsion 25 2 3 4 9.743388 2 180.000007 ; torsion 2 3 20 49 0.166667 6 180.000007 ; torsion 2 3 20 50 0.166667 6 180.000007 ; torsion 2 3 20 51 0.166667 6 180.000007 ; torsion 4 3 20 49 0.166667 6 180.000007 ; torsion 4 3 20 50 0.166667 6 180.000007 ; torsion 4 3 20 51 0.166667 6 180.000007 ; torsion 2 3 4 26 2.500000 2 180.000007 ; torsion 2 3 4 5 2.500000 2 180.000007 ; torsion 20 3 4 26 2.500000 2 180.000007 ; torsion 20 3 4 5 2.500000 2 180.000007 ; torsion 3 4 5 27 9.743388 2 180.000007 ; torsion 3 4 5 6 9.743388 2 180.000007 ; torsion 26 4 5 27 9.743388 2 180.000007 ; torsion 26 4 5 6 9.743388 2 180.000007 ; torsion 4 5 6 7 2.500000 2 180.000007 ; torsion 4 5 6 28 2.500000 2 180.000007 ; torsion 27 5 6 7 2.500000 2 180.000007 ; torsion 27 5 6 28 2.500000 2 180.000007 ; torsion 5 6 7 19 9.743388 2 180.000007 ; torsion 5 6 7 8 9.743388 2 180.000007 ; torsion 28 6 7 19 9.743388 2 180.000007 ; torsion 28 6 7 8 9.743388 2 180.000007 ; torsion 6 7 19 46 0.166667 6 180.000007 ; torsion 6 7 19 47 0.166667 6 180.000007 ; torsion 6 7 19 48 0.166667 6 180.000007 ; torsion 8 7 19 46 0.166667 6 180.000007 ; torsion 8 7 19 47 0.166667 6 180.000007 ; torsion 8 7 19 48 0.166667 6 180.000007 ; torsion 6 7 8 29 2.500000 2 180.000007 ; torsion 6 7 8 9 2.500000 2 180.000007 ; torsion 19 7 8 29 2.500000 2 180.000007 ; torsion 19 7 8 9 2.500000 2 180.000007 ; torsion 7 8 9 30 9.743388 2 180.000007 ; torsion 7 8 9 10 9.743388 2 180.000007 ; torsion 29 8 9 30 9.743388 2 180.000007 ; torsion 29 8 9 10 9.743388 2 180.000007 ; torsion 8 9 10 15 2.500000 2 180.000007 ; torsion 8 9 10 11 2.500000 2 180.000007 ; torsion 30 9 10 15 2.500000 2 180.000007 ; torsion 30 9 10 11 2.500000 2 180.000007 ; torsion 9 10 15 14 0.166667 6 180.000007 ; torsion 9 10 15 17 0.166667 6 180.000007 ; torsion 9 10 15 16 0.166667 6 180.000007 ; torsion 11 10 15 14 0.166667 6 180.000007 ; torsion 11 10 15 17 0.166667 6 180.000007 ; torsion 11 10 15 16 0.166667 6 180.000007 ; torsion 9 10 11 18 9.743388 2 180.000007 ; torsion 9 10 11 12 9.743388 2 180.000007 ; torsion 15 10 11 18 9.743388 2 180.000007 ; torsion 15 10 11 12 9.743388 2 180.000007 ; torsion 10 11 18 43 0.166667 6 180.000007 ; torsion 10 11 18 44 0.166667 6 180.000007 ; torsion 10 11 18 45 0.166667 6 180.000007 ; torsion 12 11 18 43 0.166667 6 180.000007 ; torsion 12 11 18 44 0.166667 6 180.000007 ; torsion 12 11 18 45 0.166667 6 180.000007 ; torsion 10 11 12 31 0.166667 6 180.000007 ; torsion 10 11 12 32 0.166667 6 180.000007 ; torsion 10 11 12 13 0.166667 6 180.000007 ; torsion 18 11 12 31 0.166667 6 180.000007 ; torsion 18 11 12 32 0.166667 6 180.000007 ; torsion 18 11 12 13 0.166667 6 180.000007 ; torsion 11 12 13 33 0.235444 3 0.000000 ; torsion 11 12 13 34 0.235444 3 0.000000 ; torsion 11 12 13 14 0.235444 3 0.000000 ; torsion 31 12 13 33 0.235444 3 0.000000 ; torsion 31 12 13 34 0.235444 3 0.000000 ; torsion 31 12 13 14 0.235444 3 0.000000 ; torsion 32 12 13 33 0.235444 3 0.000000 ; torsion 32 12 13 34 0.235444 3 0.000000 ; torsion 32 12 13 14 0.235444 3 0.000000 ; torsion 12 13 14 35 0.235444 3 0.000000 ; torsion 12 13 14 36 0.235444 3 0.000000 ; torsion 12 13 14 15 0.235444 3 0.000000 ; torsion 33 13 14 35 0.235444 3 0.000000 ; torsion 33 13 14 36 0.235444 3 0.000000 ; torsion 33 13 14 15 0.235444 3 0.000000 ; torsion 34 13 14 35 0.235444 3 0.000000 ; torsion 34 13 14 36 0.235444 3 0.000000 ; torsion 34 13 14 15 0.235444 3 0.000000 ; torsion 13 14 15 10 0.235444 3 0.000000 ; torsion 13 14 15 17 0.235444 3 0.000000 ; torsion 13 14 15 16 0.235444 3 0.000000 ; torsion 35 14 15 10 0.235444 3 0.000000 ; torsion 35 14 15 17 0.235444 3 0.000000 ; torsion 35 14 15 16 0.235444 3 0.000000 ; torsion 36 14 15 10 0.235444 3 0.000000 ; torsion 36 14 15 17 0.235444 3 0.000000 ; torsion 36 14 15 16 0.235444 3 0.000000 ; torsion 10 15 17 40 0.235444 3 0.000000 ; torsion 10 15 17 41 0.235444 3 0.000000 ; torsion 10 15 17 42 0.235444 3 0.000000 ; torsion 14 15 17 40 0.235444 3 0.000000 ; torsion 14 15 17 41 0.235444 3 0.000000 ; torsion 14 15 17 42 0.235444 3 0.000000 ; torsion 16 15 17 40 0.235444 3 0.000000 ; torsion 16 15 17 41 0.235444 3 0.000000 ; torsion 16 15 17 42 0.235444 3 0.000000 ; torsion 10 15 16 37 0.235444 3 0.000000 ; torsion 10 15 16 38 0.235444 3 0.000000 ; torsion 10 15 16 39 0.235444 3 0.000000 ; torsion 14 15 16 37 0.235444 3 0.000000 ; torsion 14 15 16 38 0.235444 3 0.000000 ; torsion 14 15 16 39 0.235444 3 0.000000 ; torsion 17 15 16 37 0.235444 3 0.000000 ; torsion 17 15 16 38 0.235444 3 0.000000 ; torsion 17 15 16 39 0.235444 3 0.000000 ;