atom 0.883460 -1.834227 -1.433972 1 dib.o1 -0.488765 14.852336 450.281281 15.999790 ;
mompar 1 8.241000 13.364000;
atom -1.055841 -1.628946 -2.555789 2 dib.o2 -0.488112 14.852336 450.281281 15.999790 ;
mompar 2 8.241000 13.364000;
atom 1.683354 -0.182579 4.137163 3 dib.o3 -0.492629 14.852336 450.281281 15.999790 ;
mompar 3 8.241000 13.364000;
atom 2.295338 1.884892 4.763775 4 dib.o4 -0.487489 14.852336 450.281281 15.999790 ;
mompar 4 8.241000 13.364000;
atom 1.090842 -0.558951 1.156180 5 dib.n1 -0.603100 18.213057 631.409485 14.007000 ;
mompar 5 7.649000 10.010000;
atom -1.019423 -0.796015 -0.253742 6 dib.c1 -0.052608 26.171597 1056.904663 12.000000 ;
mompar 6 5.343000 10.126000;
atom -0.349296 -0.396741 0.946840 7 dib.c2 0.014010 26.171597 1056.904663 12.000000 ;
mompar 7 5.343000 10.126000;
atom -1.092653 0.178182 1.998864 8 dib.c3 -0.081114 26.171597 1056.904663 12.000000 ;
mompar 8 5.343000 10.126000;
atom -2.471525 0.378573 1.887081 9 dib.c4 -0.072212 26.171597 1056.904663 12.000000 ;
mompar 9 5.343000 10.126000;
atom -3.133676 0.004324 0.716157 10 dib.c5 -0.071913 26.171597 1056.904663 12.000000 ;
mompar 10 5.343000 10.126000;
atom -2.416760 -0.574543 -0.338719 11 dib.c6 -0.077418 26.171597 1056.904663 12.000000 ;
mompar 11 5.343000 10.126000;
atom -0.364488 -1.438419 -1.452955 12 dib.c7 0.137501 26.171597 1056.904663 12.000000 ;
mompar 12 5.343000 10.126000;
atom 2.219220 1.448900 2.353482 13 dib.c8 -0.054706 26.171597 1056.904663 12.000000 ;
mompar 13 5.343000 10.126000;
atom 1.789176 0.728943 1.184929 14 dib.c9 0.013571 26.171597 1056.904663 12.000000 ;
mompar 14 5.343000 10.126000;
atom 2.044308 1.261861 -0.092654 15 dib.c10 -0.079415 26.171597 1056.904663 12.000000 ;
mompar 15 5.343000 10.126000;
atom 2.694599 2.487590 -0.254126 16 dib.c11 -0.072852 26.171597 1056.904663 12.000000 ;
mompar 16 5.343000 10.126000;
atom 3.105655 3.205220 0.869681 17 dib.c12 -0.071986 26.171597 1056.904663 12.000000 ;
mompar 17 5.343000 10.126000;
atom 2.871001 2.693060 2.151884 18 dib.c13 -0.076974 26.171597 1056.904663 12.000000 ;
mompar 18 5.343000 10.126000;
atom 2.050950 1.026826 3.797844 19 dib.c14 0.136557 26.171597 1056.904663 12.000000 ;
mompar 19 5.343000 10.126000;
atom 1.263939 -1.116240 2.047015 20 dib.hn1 0.222254 7.130669 121.200447 1.008000 ;
mompar 20 4.528000 13.890400;
atom -0.583925 0.472707 2.913736 21 dib.hc3 0.088149 7.130669 121.200447 1.008000 ;
mompar 21 4.528000 13.890400;
atom -3.020729 0.825222 2.712044 22 dib.hc4 0.093874 7.130669 121.200447 1.008000 ;
mompar 22 4.528000 13.890400;
atom -4.205462 0.159358 0.623039 23 dib.hc5 0.095074 7.130669 121.200447 1.008000 ;
mompar 23 4.528000 13.890400;
atom -2.961617 -0.860018 -1.235934 24 dib.hc6 0.095010 7.130669 121.200447 1.008000 ;
mompar 24 4.528000 13.890400;
atom 1.723047 0.704179 -0.971240 25 dib.hc10 0.091598 7.130669 121.200447 1.008000 ;
mompar 25 4.528000 13.890400;
atom 2.875573 2.875487 -1.253356 26 dib.hc11 0.093653 7.130669 121.200447 1.008000 ;
mompar 26 4.528000 13.890400;
atom 3.610626 4.160309 0.750772 27 dib.hc12 0.094953 7.130669 121.200447 1.008000 ;
mompar 27 4.528000 13.890400;
atom 3.212120 3.277868 3.003512 28 dib.hc13 0.095086 7.130669 121.200447 1.008000 ;
mompar 28 4.528000 13.890400;
bond 1 12 1.308111 640.864685 ;
bond 2 12 1.308111 640.864685 ;
bond 12 6 1.464000 323.743622 ;
bond 6 7 1.384932 456.989899 ;
bond 7 8 1.384932 456.989899 ;
bond 8 9 1.384932 456.989899 ;
bond 9 10 1.384932 456.989899 ;
bond 10 11 1.384932 456.989899 ;
bond 11 6 1.384932 456.989899 ;
bond 7 5 1.443408 411.691132 ;
bond 8 21 1.087584 400.748840 ;
bond 9 22 1.087584 400.748840 ;
bond 10 23 1.087584 400.748840 ;
bond 11 24 1.087584 400.748840 ;
bond 5 14 1.443408 411.691132 ;
bond 14 13 1.384932 456.989899 ;
bond 14 15 1.384932 456.989899 ;
bond 15 16 1.384932 456.989899 ;
bond 16 17 1.384932 456.989899 ;
bond 17 18 1.384932 456.989899 ;
bond 18 13 1.384932 456.989899 ;
bond 13 19 1.464000 323.743622 ;
bond 19 3 1.308111 640.864685 ;
bond 19 4 1.308111 640.864685 ;
bond 15 25 1.087584 400.748840 ;
bond 16 26 1.087584 400.748840 ;
bond 17 27 1.087584 400.748840 ;
bond 18 28 1.087584 400.748840 ;
bond 5 20 1.068488 431.021271 ;
angle 7 5 14 78.209084 106.700001 ;
angle 7 5 20 59.166405 106.700001 ;
angle 14 5 20 59.166405 106.700001 ;
angle 12 6 7 58.789749 120.000005 ;
angle 12 6 11 58.789749 120.000005 ;
angle 7 6 11 78.363617 120.000005 ;
angle 6 7 8 78.363617 120.000005 ;
angle 6 7 5 73.697403 120.000005 ;
angle 8 7 5 73.697403 120.000005 ;
angle 7 8 9 78.363617 120.000005 ;
angle 7 8 21 51.527637 120.000005 ;
angle 9 8 21 51.527637 120.000005 ;
angle 8 9 10 78.363617 120.000005 ;
angle 8 9 22 51.527637 120.000005 ;
angle 10 9 22 51.527637 120.000005 ;
angle 9 10 11 78.363617 120.000005 ;
angle 9 10 23 51.527637 120.000005 ;
angle 11 10 23 51.527637 120.000005 ;
angle 10 11 6 78.363617 120.000005 ;
angle 10 11 24 51.527637 120.000005 ;
angle 6 11 24 51.527637 120.000005 ;
angle 1 12 2 195.285553 120.000005 ;
angle 1 12 6 110.087570 120.000005 ;
angle 2 12 6 110.087570 120.000005 ;
angle 14 13 18 78.363617 120.000005 ;
angle 14 13 19 58.789749 120.000005 ;
angle 18 13 19 58.789749 120.000005 ;
angle 5 14 13 73.697403 120.000005 ;
angle 5 14 15 73.697403 120.000005 ;
angle 13 14 15 78.363617 120.000005 ;
angle 14 15 16 78.363617 120.000005 ;
angle 14 15 25 51.527637 120.000005 ;
angle 16 15 25 51.527637 120.000005 ;
angle 15 16 17 78.363617 120.000005 ;
angle 15 16 26 51.527637 120.000005 ;
angle 17 16 26 51.527637 120.000005 ;
angle 16 17 18 78.363617 120.000005 ;
angle 16 17 27 51.527637 120.000005 ;
angle 18 17 27 51.527637 120.000005 ;
angle 17 18 13 78.363617 120.000005 ;
angle 17 18 28 51.527637 120.000005 ;
angle 13 18 28 51.527637 120.000005 ;
angle 13 19 3 110.087570 120.000005 ;
angle 13 19 4 110.087570 120.000005 ;
angle 3 19 4 195.285553 120.000005 ;
hybrid 12 7 11 6 50.000000 0.000000 ;
hybrid 6 8 5 7 50.000000 0.000000 ;
hybrid 7 9 21 8 50.000000 0.000000 ;
hybrid 8 10 22 9 50.000000 0.000000 ;
hybrid 9 11 23 10 50.000000 0.000000 ;
hybrid 10 6 24 11 50.000000 0.000000 ;
hybrid 1 2 6 12 150.000000 0.000000 ;
hybrid 14 18 19 13 50.000000 0.000000 ;
hybrid 5 13 15 14 50.000000 0.000000 ;
hybrid 14 16 25 15 50.000000 0.000000 ;
hybrid 15 17 26 16 50.000000 0.000000 ;
hybrid 16 18 27 17 50.000000 0.000000 ;
hybrid 17 13 28 18 50.000000 0.000000 ;
hybrid 13 3 4 19 150.000000 0.000000 ;
torsion 1 12 6 7 2.500000 2 180.000007 ;
torsion 1 12 6 11 2.500000 2 180.000007 ;
torsion 2 12 6 7 2.500000 2 180.000007 ;
torsion 2 12 6 11 2.500000 2 180.000007 ;
torsion 12 6 7 8 6.737111 2 180.000007 ;
torsion 12 6 7 5 6.737111 2 180.000007 ;
torsion 11 6 7 8 6.737111 2 180.000007 ;
torsion 11 6 7 5 6.737111 2 180.000007 ;
torsion 6 7 8 9 6.737111 2 180.000007 ;
torsion 6 7 8 21 6.737111 2 180.000007 ;
torsion 5 7 8 9 6.737111 2 180.000007 ;
torsion 5 7 8 21 6.737111 2 180.000007 ;
torsion 7 8 9 10 6.737111 2 180.000007 ;
torsion 7 8 9 22 6.737111 2 180.000007 ;
torsion 21 8 9 10 6.737111 2 180.000007 ;
torsion 21 8 9 22 6.737111 2 180.000007 ;
torsion 8 9 10 11 6.737111 2 180.000007 ;
torsion 8 9 10 23 6.737111 2 180.000007 ;
torsion 22 9 10 11 6.737111 2 180.000007 ;
torsion 22 9 10 23 6.737111 2 180.000007 ;
torsion 9 10 11 6 6.737111 2 180.000007 ;
torsion 9 10 11 24 6.737111 2 180.000007 ;
torsion 23 10 11 6 6.737111 2 180.000007 ;
torsion 23 10 11 24 6.737111 2 180.000007 ;
torsion 10 11 6 12 6.737111 2 180.000007 ;
torsion 10 11 6 7 6.737111 2 180.000007 ;
torsion 24 11 6 12 6.737111 2 180.000007 ;
torsion 24 11 6 7 6.737111 2 180.000007 ;
torsion 6 7 5 14 0.250000 6 180.000007 ;
torsion 6 7 5 20 0.250000 6 180.000007 ;
torsion 8 7 5 14 0.250000 6 180.000007 ;
torsion 8 7 5 20 0.250000 6 180.000007 ;
torsion 7 5 14 13 0.250000 6 180.000007 ;
torsion 7 5 14 15 0.250000 6 180.000007 ;
torsion 20 5 14 13 0.250000 6 180.000007 ;
torsion 20 5 14 15 0.250000 6 180.000007 ;
torsion 5 14 13 18 6.737111 2 180.000007 ;
torsion 5 14 13 19 6.737111 2 180.000007 ;
torsion 15 14 13 18 6.737111 2 180.000007 ;
torsion 15 14 13 19 6.737111 2 180.000007 ;
torsion 5 14 15 16 6.737111 2 180.000007 ;
torsion 5 14 15 25 6.737111 2 180.000007 ;
torsion 13 14 15 16 6.737111 2 180.000007 ;
torsion 13 14 15 25 6.737111 2 180.000007 ;
torsion 14 15 16 17 6.737111 2 180.000007 ;
torsion 14 15 16 26 6.737111 2 180.000007 ;
torsion 25 15 16 17 6.737111 2 180.000007 ;
torsion 25 15 16 26 6.737111 2 180.000007 ;
torsion 15 16 17 18 6.737111 2 180.000007 ;
torsion 15 16 17 27 6.737111 2 180.000007 ;
torsion 26 16 17 18 6.737111 2 180.000007 ;
torsion 26 16 17 27 6.737111 2 180.000007 ;
torsion 16 17 18 13 6.737111 2 180.000007 ;
torsion 16 17 18 28 6.737111 2 180.000007 ;
torsion 27 17 18 13 6.737111 2 180.000007 ;
torsion 27 17 18 28 6.737111 2 180.000007 ;
torsion 17 18 13 14 6.737111 2 180.000007 ;
torsion 17 18 13 19 6.737111 2 180.000007 ;
torsion 28 18 13 14 6.737111 2 180.000007 ;
torsion 28 18 13 19 6.737111 2 180.000007 ;
torsion 14 13 19 3 2.500000 2 180.000007 ;
torsion 14 13 19 4 2.500000 2 180.000007 ;
torsion 18 13 19 3 2.500000 2 180.000007 ;
torsion 18 13 19 4 2.500000 2 180.000007 ;