atom 2.333794 1.087049 2.774518 1 cry.c1 0.119118 26.171597 1056.904663 12.000000 ; mompar 1 5.343000 10.126000; atom 1.814072 1.263904 1.395823 2 cry.c2 -0.001485 26.171597 1056.904663 12.000000 ; mompar 2 5.343000 10.126000; atom 2.446460 2.030614 0.380114 3 cry.c3 0.100147 26.171597 1056.904663 12.000000 ; mompar 3 5.343000 10.126000; atom 1.861717 2.127754 -0.888400 4 cry.c4 -0.037096 26.171597 1056.904663 12.000000 ; mompar 4 5.343000 10.126000; atom 0.655219 1.480935 -1.165804 5 cry.c5 0.101837 26.171597 1056.904663 12.000000 ; mompar 5 5.343000 10.126000; atom 0.028893 0.722116 -0.175877 6 cry.c6 -0.035532 26.171597 1056.904663 12.000000 ; mompar 6 5.343000 10.126000; atom 0.592964 0.606652 1.101525 7 cry.c7 0.097611 26.171597 1056.904663 12.000000 ; mompar 7 5.343000 10.126000; atom 1.578285 0.277580 3.727263 8 cry.c8 -0.034846 26.171597 1056.904663 12.000000 ; mompar 8 5.343000 10.126000; atom 0.412540 -0.306111 3.374021 9 cry.c9 0.100972 26.171597 1056.904663 12.000000 ; mompar 9 5.343000 10.126000; atom -0.389474 -1.123325 4.335040 10 cry.c10 0.024851 26.171597 1056.904663 12.000000 ; mompar 10 5.343000 10.126000; atom -1.289038 -2.078065 3.813018 11 cry.c11 -0.017646 26.171597 1056.904663 12.000000 ; mompar 11 5.343000 10.126000; atom -2.075980 -2.866551 4.666456 12 cry.c12 -0.015841 26.171597 1056.904663 12.000000 ; mompar 12 5.343000 10.126000; atom -1.979908 -2.706379 6.056505 13 cry.c13 -0.014290 26.171597 1056.904663 12.000000 ; mompar 13 5.343000 10.126000; atom -1.099063 -1.754474 6.591676 14 cry.c14 -0.014458 26.171597 1056.904663 12.000000 ; mompar 14 5.343000 10.126000; atom -0.309904 -0.965666 5.738517 15 cry.c15 -0.018210 26.171597 1056.904663 12.000000 ; mompar 15 5.343000 10.126000; atom 3.407695 1.609859 3.165756 16 cry.o1 -0.445211 14.852336 450.281281 15.999790 ; mompar 16 8.241000 13.364000; atom -0.129076 -0.187917 2.049235 17 cry.o2 -0.507305 14.852336 450.281281 15.999790 ; mompar 17 8.741000 13.364000; atom 3.662029 2.726877 0.569976 18 cry.o3 -0.603202 14.852336 450.281281 15.999790 ; mompar 18 8.741000 13.364000; atom 0.064402 1.593637 -2.441209 19 cry.o4 -0.596791 14.852336 450.281281 15.999790 ; mompar 19 8.741000 13.364000; atom 3.940038 2.533722 1.546969 20 cry.ho3 0.332652 2.373183 13.424753 1.008000 ; mompar 20 4.528000 13.890400; atom -0.106851 2.606932 -2.557989 21 cry.ho4 0.313793 2.373183 13.424753 1.008000 ; mompar 21 4.528000 13.890400; atom 2.355204 2.711070 -1.660053 22 cry.h4 0.144167 7.130669 121.200447 1.008000 ; mompar 22 4.528000 13.890400; atom -0.905789 0.218109 -0.400720 23 cry.h6 0.146602 7.130669 121.200447 1.008000 ; mompar 23 4.528000 13.890400; atom 2.010216 0.165627 4.714911 24 cry.h8 0.140943 7.130669 121.200447 1.008000 ; mompar 24 4.528000 13.890400; atom -1.375348 -2.213792 2.733765 25 cry.h11 0.148002 7.130669 121.200447 1.008000 ; mompar 25 4.528000 13.890400; atom -2.762011 -3.601421 4.245583 26 cry.h12 0.143157 7.130669 121.200447 1.008000 ; mompar 26 4.528000 13.890400; atom -2.592750 -3.317011 6.719289 27 cry.h13 0.144366 7.130669 121.200447 1.008000 ; mompar 27 4.528000 13.890400; atom -1.031382 -1.620887 7.671309 28 cry.h14 0.144298 7.130669 121.200447 1.008000 ; mompar 28 4.528000 13.890400; atom 0.343112 -0.215716 6.180962 29 cry.h15 0.139395 7.130669 121.200447 1.008000 ; mompar 29 4.528000 13.890400; bond 1 16 1.255767 724.390930 ; bond 1 8 1.464000 270.915161 ; bond 1 2 1.464000 323.743622 ; bond 2 3 1.384932 456.989899 ; bond 3 4 1.384932 456.989899 ; bond 4 5 1.384932 456.989899 ; bond 5 6 1.384932 456.989899 ; bond 6 7 1.384932 456.989899 ; bond 7 2 1.384932 456.989899 ; bond 3 18 1.410739 490.708862 ; bond 18 20 1.033746 529.652588 ; bond 4 22 1.087584 400.748840 ; bond 5 19 1.410739 490.708862 ; bond 19 21 1.033746 529.652588 ; bond 6 23 1.087584 400.748840 ; bond 7 17 1.410739 490.708862 ; bond 17 9 1.410739 410.635040 ; bond 9 8 1.328833 362.280823 ; bond 8 24 1.087584 335.354706 ; bond 9 10 1.464000 323.743622 ; bond 10 11 1.384932 456.989899 ; bond 11 12 1.384932 456.989899 ; bond 12 13 1.384932 456.989899 ; bond 13 14 1.384932 456.989899 ; bond 14 15 1.384932 456.989899 ; bond 15 10 1.384932 456.989899 ; bond 11 25 1.087584 400.748840 ; bond 12 26 1.087584 400.748840 ; bond 13 27 1.087584 400.748840 ; bond 14 28 1.087584 400.748840 ; bond 15 29 1.087584 400.748840 ; angle 16 1 8 99.033150 120.000005 ; angle 16 1 2 118.344604 120.000005 ; angle 8 1 2 52.954357 120.000005 ; angle 1 2 3 58.789749 120.000005 ; angle 1 2 7 58.789749 120.000005 ; angle 3 2 7 78.363617 120.000005 ; angle 2 3 4 78.363617 120.000005 ; angle 2 3 18 85.795197 120.000005 ; angle 4 3 18 85.795197 120.000005 ; angle 3 4 5 78.363617 120.000005 ; angle 3 4 22 51.527637 120.000005 ; angle 5 4 22 51.527637 120.000005 ; angle 4 5 6 78.363617 120.000005 ; angle 4 5 19 85.795197 120.000005 ; angle 6 5 19 85.795197 120.000005 ; angle 5 6 7 78.363617 120.000005 ; angle 5 6 23 51.527637 120.000005 ; angle 7 6 23 51.527637 120.000005 ; angle 6 7 2 78.363617 120.000005 ; angle 6 7 17 85.795197 120.000005 ; angle 2 7 17 85.795197 120.000005 ; angle 1 8 9 53.067726 120.000005 ; angle 1 8 24 37.869324 120.000005 ; angle 9 8 24 47.406601 120.000005 ; angle 17 9 8 77.626831 120.000005 ; angle 17 9 10 77.037064 120.000005 ; angle 8 9 10 63.415932 120.000005 ; angle 9 10 11 58.789749 120.000005 ; angle 9 10 15 58.789749 120.000005 ; angle 11 10 15 78.363617 120.000005 ; angle 10 11 12 78.363617 120.000005 ; angle 10 11 25 51.527637 120.000005 ; angle 12 11 25 51.527637 120.000005 ; angle 11 12 13 78.363617 120.000005 ; angle 11 12 26 51.527637 120.000005 ; angle 13 12 26 51.527637 120.000005 ; angle 12 13 14 78.363617 120.000005 ; angle 12 13 27 51.527637 120.000005 ; angle 14 13 27 51.527637 120.000005 ; angle 13 14 15 78.363617 120.000005 ; angle 13 14 28 51.527637 120.000005 ; angle 15 14 28 51.527637 120.000005 ; angle 14 15 10 78.363617 120.000005 ; angle 14 15 29 51.527637 120.000005 ; angle 10 15 29 51.527637 120.000005 ; angle 7 17 9 74.587082 104.510003 ; angle 3 18 20 69.358711 104.510003 ; angle 5 19 21 69.358711 104.510003 ; hybrid 16 8 2 1 150.000000 0.000000 ; hybrid 1 3 7 2 50.000000 0.000000 ; hybrid 2 4 18 3 50.000000 0.000000 ; hybrid 3 5 22 4 50.000000 0.000000 ; hybrid 4 6 19 5 50.000000 0.000000 ; hybrid 5 7 23 6 50.000000 0.000000 ; hybrid 6 2 17 7 50.000000 0.000000 ; hybrid 1 9 24 8 150.000000 0.000000 ; hybrid 17 8 10 9 150.000000 0.000000 ; hybrid 9 11 15 10 50.000000 0.000000 ; hybrid 10 12 25 11 50.000000 0.000000 ; hybrid 11 13 26 12 50.000000 0.000000 ; hybrid 12 14 27 13 50.000000 0.000000 ; hybrid 13 15 28 14 50.000000 0.000000 ; hybrid 14 10 29 15 50.000000 0.000000 ; torsion 16 1 8 9 2.500000 2 180.000007 ; torsion 16 1 8 24 2.500000 2 180.000007 ; torsion 2 1 8 9 2.500000 2 180.000007 ; torsion 2 1 8 24 2.500000 2 180.000007 ; torsion 16 1 2 3 2.500000 2 180.000007 ; torsion 16 1 2 7 2.500000 2 180.000007 ; torsion 8 1 2 3 2.500000 2 180.000007 ; torsion 8 1 2 7 2.500000 2 180.000007 ; torsion 1 2 3 4 6.737111 2 180.000007 ; torsion 1 2 3 18 6.737111 2 180.000007 ; torsion 7 2 3 4 6.737111 2 180.000007 ; torsion 7 2 3 18 6.737111 2 180.000007 ; torsion 2 3 4 5 6.737111 2 180.000007 ; torsion 2 3 4 22 6.737111 2 180.000007 ; torsion 18 3 4 5 6.737111 2 180.000007 ; torsion 18 3 4 22 6.737111 2 180.000007 ; torsion 3 4 5 6 6.737111 2 180.000007 ; torsion 3 4 5 19 6.737111 2 180.000007 ; torsion 22 4 5 6 6.737111 2 180.000007 ; torsion 22 4 5 19 6.737111 2 180.000007 ; torsion 4 5 6 7 6.737111 2 180.000007 ; torsion 4 5 6 23 6.737111 2 180.000007 ; torsion 19 5 6 7 6.737111 2 180.000007 ; torsion 19 5 6 23 6.737111 2 180.000007 ; torsion 5 6 7 2 6.737111 2 180.000007 ; torsion 5 6 7 17 6.737111 2 180.000007 ; torsion 23 6 7 2 6.737111 2 180.000007 ; torsion 23 6 7 17 6.737111 2 180.000007 ; torsion 6 7 2 1 6.737111 2 180.000007 ; torsion 6 7 2 3 6.737111 2 180.000007 ; torsion 17 7 2 1 6.737111 2 180.000007 ; torsion 17 7 2 3 6.737111 2 180.000007 ; torsion 2 3 18 20 0.500000 6 180.000007 ; torsion 4 3 18 20 0.500000 6 180.000007 ; torsion 4 5 19 21 0.500000 6 180.000007 ; torsion 6 5 19 21 0.500000 6 180.000007 ; torsion 6 7 17 9 0.500000 6 180.000007 ; torsion 2 7 17 9 0.500000 6 180.000007 ; torsion 7 17 9 8 0.500000 6 180.000007 ; torsion 7 17 9 10 0.500000 6 180.000007 ; torsion 17 9 8 1 9.743388 2 180.000007 ; torsion 17 9 8 24 9.743388 2 180.000007 ; torsion 10 9 8 1 9.743388 2 180.000007 ; torsion 10 9 8 24 9.743388 2 180.000007 ; torsion 17 9 10 11 2.500000 2 180.000007 ; torsion 17 9 10 15 2.500000 2 180.000007 ; torsion 8 9 10 11 2.500000 2 180.000007 ; torsion 8 9 10 15 2.500000 2 180.000007 ; torsion 9 10 11 12 6.737111 2 180.000007 ; torsion 9 10 11 25 6.737111 2 180.000007 ; torsion 15 10 11 12 6.737111 2 180.000007 ; torsion 15 10 11 25 6.737111 2 180.000007 ; torsion 10 11 12 13 6.737111 2 180.000007 ; torsion 10 11 12 26 6.737111 2 180.000007 ; torsion 25 11 12 13 6.737111 2 180.000007 ; torsion 25 11 12 26 6.737111 2 180.000007 ; torsion 11 12 13 14 6.737111 2 180.000007 ; torsion 11 12 13 27 6.737111 2 180.000007 ; torsion 26 12 13 14 6.737111 2 180.000007 ; torsion 26 12 13 27 6.737111 2 180.000007 ; torsion 12 13 14 15 6.737111 2 180.000007 ; torsion 12 13 14 28 6.737111 2 180.000007 ; torsion 27 13 14 15 6.737111 2 180.000007 ; torsion 27 13 14 28 6.737111 2 180.000007 ; torsion 13 14 15 10 6.737111 2 180.000007 ; torsion 13 14 15 29 6.737111 2 180.000007 ; torsion 28 14 15 10 6.737111 2 180.000007 ; torsion 28 14 15 29 6.737111 2 180.000007 ; torsion 14 15 10 9 6.737111 2 180.000007 ; torsion 14 15 10 11 6.737111 2 180.000007 ; torsion 29 15 10 9 6.737111 2 180.000007 ; torsion 29 15 10 11 6.737111 2 180.000007 ;