atom 0.119613 -0.987585 -0.972883 1 pms.p1 1.101048 55.701508 2809.014648 30.969999 ;
mompar 1 4.204000 3.000000;
atom -0.389665 -1.345973 -2.467749 2 pms.s1 -0.402801 48.631851 2259.104736 32.060001 ;
mompar 2 6.928000 8.972000;
atom -1.139256 -1.033524 0.052355 3 pms.o1 -0.555095 14.852336 450.281281 15.999790 ;
mompar 3 8.741000 13.364000;
atom 1.236723 -2.072155 -0.510350 4 pms.o2 -0.554716 14.852336 450.281281 15.999790 ;
mompar 4 8.741000 13.364000;
atom 0.770615 0.500634 -0.968509 5 pms.o3 -0.555268 14.852336 450.281281 15.999790 ;
mompar 5 8.741000 13.364000;
atom -1.379760 -2.378093 0.557743 6 pms.c1 -0.041457 26.171597 1056.904663 12.000000 ;
mompar 6 5.343000 10.126000;
atom 2.577975 -1.679086 -0.919770 7 pms.c2 -0.042231 26.171597 1056.904663 12.000000 ;
mompar 7 5.343000 10.126000;
atom -0.234227 1.532334 -0.751580 8 pms.c3 -0.041988 26.171597 1056.904663 12.000000 ;
mompar 8 5.343000 10.126000;
atom -2.313265 -2.366081 1.166209 9 pms.h11 0.123349 7.130669 121.200447 1.008000 ;
mompar 9 4.528000 13.890400;
atom -1.525309 -3.118956 -0.265230 10 pms.h12 0.122991 7.130669 121.200447 1.008000 ;
mompar 10 4.528000 13.890400;
atom -0.549796 -2.714477 1.224324 11 pms.h13 0.116902 7.130669 121.200447 1.008000 ;
mompar 11 4.528000 13.890400;
atom 3.279303 -2.512609 -0.684088 12 pms.h21 0.123003 7.130669 121.200447 1.008000 ;
mompar 12 4.528000 13.890400;
atom 2.924460 -0.779656 -0.356038 13 pms.h22 0.118240 7.130669 121.200447 1.008000 ;
mompar 13 4.528000 13.890400;
atom 2.645603 -1.483853 -2.017673 14 pms.h23 0.123540 7.130669 121.200447 1.008000 ;
mompar 14 4.528000 13.890400;
atom 0.248184 2.529028 -0.878327 15 pms.h31 0.123144 7.130669 121.200447 1.008000 ;
mompar 15 4.528000 13.890400;
atom -0.641763 1.486675 0.286929 16 pms.h32 0.117645 7.130669 121.200447 1.008000 ;
mompar 16 4.528000 13.890400;
atom -1.072139 1.469242 -1.487706 17 pms.h33 0.123693 7.130669 121.200447 1.008000 ;
mompar 17 4.528000 13.890400;
bond 1 3 1.607962 496.215027 ;
bond 1 4 1.607962 496.215027 ;
bond 1 5 1.607962 496.215027 ;
bond 1 2 1.617948 606.722961 ;
bond 3 6 1.436155 437.869598 ;
bond 6 9 1.112599 352.394226 ;
bond 6 10 1.112599 352.394226 ;
bond 6 11 1.112599 352.394226 ;
bond 4 7 1.436155 437.869598 ;
bond 7 12 1.112599 352.394226 ;
bond 7 13 1.112599 352.394226 ;
bond 7 14 1.112599 352.394226 ;
bond 5 8 1.436155 437.869598 ;
bond 8 15 1.112599 352.394226 ;
bond 8 16 1.112599 352.394226 ;
bond 8 17 1.112599 352.394226 ;
angle 3 1 4 102.194542 109.470004 ;
angle 3 1 5 102.194542 109.470004 ;
angle 3 1 2 116.498161 109.470004 ;
angle 4 1 5 102.194542 109.470004 ;
angle 4 1 2 116.498161 109.470004 ;
angle 5 1 2 116.498161 109.470004 ;
angle 1 3 6 89.907265 104.510003 ;
angle 1 4 7 89.907265 104.510003 ;
angle 1 5 8 89.907265 104.510003 ;
angle 3 6 9 60.563637 109.470004 ;
angle 3 6 10 60.563637 109.470004 ;
angle 3 6 11 60.563637 109.470004 ;
angle 9 6 10 41.660091 109.470004 ;
angle 9 6 11 41.660091 109.470004 ;
angle 10 6 11 41.660091 109.470004 ;
angle 4 7 12 60.563637 109.470004 ;
angle 4 7 13 60.563637 109.470004 ;
angle 4 7 14 60.563637 109.470004 ;
angle 12 7 13 41.660091 109.470004 ;
angle 12 7 14 41.660091 109.470004 ;
angle 13 7 14 41.660091 109.470004 ;
angle 5 8 15 60.563637 109.470004 ;
angle 5 8 16 60.563637 109.470004 ;
angle 5 8 17 60.563637 109.470004 ;
angle 15 8 16 41.660091 109.470004 ;
angle 15 8 17 41.660091 109.470004 ;
angle 16 8 17 41.660091 109.470004 ;
torsion 4 1 3 6 0.056569 3 0.000000 ;
torsion 5 1 3 6 0.056569 3 0.000000 ;
torsion 2 1 3 6 0.056569 3 0.000000 ;
torsion 3 1 4 7 0.056569 3 0.000000 ;
torsion 5 1 4 7 0.056569 3 0.000000 ;
torsion 2 1 4 7 0.056569 3 0.000000 ;
torsion 3 1 5 8 0.056569 3 0.000000 ;
torsion 4 1 5 8 0.056569 3 0.000000 ;
torsion 2 1 5 8 0.056569 3 0.000000 ;
torsion 1 3 6 9 0.053154 3 0.000000 ;
torsion 1 3 6 10 0.053154 3 0.000000 ;
torsion 1 3 6 11 0.053154 3 0.000000 ;
torsion 1 4 7 12 0.053154 3 0.000000 ;
torsion 1 4 7 13 0.053154 3 0.000000 ;
torsion 1 4 7 14 0.053154 3 0.000000 ;
torsion 1 5 8 15 0.053154 3 0.000000 ;
torsion 1 5 8 16 0.053154 3 0.000000 ;
torsion 1 5 8 17 0.053154 3 0.000000 ;