* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    235     436
    1     0 S   NP   _N1_     1    29.02393    98.28455   -23.70350
    2     1 S   H    _HN1     2     1.02952    64.52238   -20.56987
    3     1 S   H    _H1_     3     1.02832    42.75794   153.18410
    4     1 S   H    _H2_     4     1.02783   116.89349  -119.18485
    5     1 S   CT   _CA1     5     1.50122   129.48184    75.62552
    6     5 S   HC   _HA1     6     1.09575   105.19242   104.37428
    7     5 S   CO3  _C1_     7     1.53770   112.43661   -15.85261
    8     7 S   O2Z  _O11     8     1.26376   114.98999   -42.67106
    9     7 S   O2Z  _O12     9     1.26230   114.94225   136.39960
   10     5 S   CT   _CB1    10     1.53076   107.42789  -137.64347
   11    10 S   HC   HB11    11     1.09835   109.34455   -49.74856
   12    10 S   HC   HB12    12     1.09811   110.46721    66.84942
   13    10 S   CT   _CG1    13     1.52989   112.62003  -170.71299
   14    13 S   HC   HG11    14     1.09578   110.69360   -66.54658
   15    13 S   HC   HG12    15     1.09689   109.77042    52.67369
   16    13 S   C    _CD1    16     1.51798   112.13021   173.15075
   17    16 S   O    _OE1    17     1.22736   123.42623     9.71786
   18    16 S   N    _N2_    18     1.38556   111.68103  -170.11153
   19    18 S   H    _HN2    19     1.01611   119.11567    -2.13515
   20    18 S   CT1  _CA2    20     1.46119   122.90384   178.04285
   21    20 S   HC   _HA2    21     1.09713   108.39167    34.72451
   22    20 S   C    _C2_    22     1.53430   110.53385   -82.21828
   23    22 S   O    _O2_    23     1.23115   121.08177   164.67330
   24    20 S   CT   _CB2    32     1.53261   111.44806   157.40808
   25    24 S   HC   HB21    33     1.09425   109.90217    59.61314
   26    24 S   HC   HB22    34     1.09548   110.46094   177.72325
   27    22 S   N    _N3_    24     1.38015   114.57415   -21.41821
   28    27 S   H    _HN3    25     1.01555   119.21516     6.12237
   29    24 S   S    _SG2    35     1.82550   111.42411   -62.38993
   30    27 S   CT   _CA3    26     1.45236   123.64572  -176.31783
   31    30 S   HC   HA31    27     1.09528   108.00705   -55.00970
   32    30 S   HC   HA32    28     1.09552   107.53753    61.53617
   33    29 S   CT   _C17    36     1.83333    99.34452   157.39010
   34    33 S   HC   _H3_    37     1.09473   109.70461    38.84489
   35    30 S   CO3  _C3_    29     1.52972   113.73620  -176.69625
   36    35 S   O2Z  _O31    30     1.26413   115.90648     9.57809
   37    35 S   O2Z  _O32    31     1.26383   114.52866  -170.48423
   38    33 S   CM   _C6_    38     1.49395   109.31760   162.46182
   39    38 S   CMA  _C7_    39     1.35067   111.47175   103.28977
   40    39 S   OM   _O19    40     1.26243   128.21285  -179.36511
   41    38 S   CT   _C20    75     1.49539   120.20514   -77.93390
   42    41 S   HC   _H39    76     1.09484   110.06089   -56.45825
   43    41 S   HC   _H40    77     1.09430   112.47937  -176.27732
   44    41 S   HC   _H41    78     1.09425   110.75443    63.34444
   45    39 S   OS   _O21    41     1.42546   109.30722    -0.44850
   46    33 S   CO   _C19    42     1.53094   115.29896   -87.40167
   47    46 S   HC   _H38    43     1.10230   108.70104   157.32799
   48    46 S   OS   _O23    44     1.43031   112.27555    36.76438
   49    48 S   CM   _C10    45     1.36947   112.69915   168.52790
   50    49 S   HC   _H25    46     1.08203   114.24773    32.10985
   51    49 S   CM   _C8_    47     1.33505   122.41251  -149.21601
   52    51 S   CO4  _C9_    48     1.47335   121.86538  -178.75699
   53    52 S   O    _O20    49     1.21800   126.71360    -4.57440
   54    52 S   OS   _O22    50     1.36186   107.74709   175.98722
   55    54 S   CT   _C16    51     1.43208   111.43015    -3.51402
   56    55 S   HC   _H35    52     1.09494   109.51176  -112.84861
   57    55 S   CM   _C5_    53     1.49370   110.24474   122.77076
   58    57 S   CM   _C4_    54     1.33868   111.54484  -111.34141
   59    58 S   CT   _C11    55     1.49054   124.57081   177.96856
   60    59 S   HC   _H26    56     1.09645   108.82149   107.37987
   61    59 S   HC   _H27    57     1.09580   110.27145  -135.10380
   62    58 S   CT   _C12    70     1.49121   112.75022    -0.26319
   63    62 S   HC   _H28    71     1.09549   110.92203   117.26431
   64    62 S   HC   _H29    72     1.09400   110.52631  -122.70450
   65    59 S   CT   _C13    58     1.53278   111.64408   -13.92198
   66    65 S   HC   _H30    59     1.09591   109.55429   164.83070
   67    65 S   HC   _H31    60     1.09770   109.48185   -78.36431
   68    51 S   CT   _C18    73     1.48394   128.27232     0.80624
   69    68 S   HC   _H37    74     1.09552   111.41641   -53.16521
   70    65 S   CT   _C14    61     1.53055   111.76268    42.63974
   71    70 S   HC   _H32    62     1.09810   108.79570    63.37521
   72    70 S   HC   _H33    63     1.09676   109.46247   179.55765
   73    57 S   CT   _C15    64     1.50244   124.46219    67.26554
   74    73 S   HC   _H34    65     1.09820   107.33434   -74.33485
   75    73 S   CT   _C21    66     1.52962   112.96022    44.38700
   76    75 S   HC   _H42    67     1.09541   111.53426    58.06085
   77    75 S   HC   _H43    68     1.09520   111.22374   -62.56656
   78    75 S   HC   _H44    69     1.09548   110.67336   178.24041
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  10   9   3   5   2   1   1   4   5   2   5
   9   3  12   8   3   8  13   6  19  15  13   6   5   6   3   2
   8   5   4   2   1   8   4   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    46    47    48    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    47    48    49    41    42    43    44  
   38    39    45    46    47    48    41  
   36    37  
   37  
    0  
   39    40    45    46    47    48    41    42    43    44  
   40    45    46    47    48    41    42    43    44  
   45    46    41  
   42    43    44    45    46  
   43    44  
   44  
    0  
   46    47    48    49  
   47    48    49    50    51  
   48    49  
   49    50    51    52    68  
   50    51    52    53    54    55    62    68    69  
   51    52    68  
   52    53    54    55    56    57    58    62    63    64    68    69  
   53    54    55    56    57    62    68    69  
   54    55    68  
   55    56    57    58    73    62    68    69  
   56    57    58    59    70    73    74    75    62    63    64    68    69  
   57    58    73    62    68    69  
   58    59    60    61    65    70    71    72    73    74    75    76    77    78    62    63    64    68    69  
   59    60    61    65    66    67    70    73    74    75    62    63    64    68    69  
   60    61    65    66    67    70    71    72    73    62    63    64    68  
   61    65    66    67    70    62  
   65    66    67    70    62  
   63    64    68    69    65    73  
   64    68    69  
   68    69  
   66    67    70    71    72    73    74    75  
   67    70    71    72    73  
   70    71    72    73  
   69    73  
    0  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   250.000  1.527
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   440.000  1.360
   45    46   320.000  1.380
   46    47   340.000  1.090
   46    48   320.000  1.380
   48    49   440.000  1.360
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   320.000  1.462
   51    68   317.000  1.510
   52    53   570.000  1.229
   52    54   214.000  1.327
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   317.000  1.510
   55    68   268.000  1.529
   57    58   549.000  1.340
   57    73   317.000  1.510
   58    59   317.000  1.510
   58    62   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    46    45    90.00000  108.56700
   33    46    47    45.00000  112.01100
   33    46    48    90.00000  108.56700
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    80.00000  120.01400
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    85.00000  113.97000
   45    39    40    65.00000  121.00000
   45    46    47    35.00000  109.50000
   45    46    48    92.60000  111.55000
   46    33    34    45.00000  108.72000
   46    33    38    70.00000  112.02700
   46    48    49    85.00000  113.97000
   48    46    47    35.00000  109.50000
   48    49    50    55.00000  109.52600
   48    49    51    80.00000  120.01400
   49    51    52    65.00000  118.96000
   49    51    68    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    80.00000  123.72100
   51    52    54    90.00000  111.29400
   51    68    55    70.00000  112.02700
   51    68    62    70.00000  112.02700
   51    68    69    35.00000  109.50000
   52    54    55    83.00000  116.90000
   54    52    53    83.00000  123.40000
   54    55    56    35.00000  109.50000
   54    55    57    85.00000  110.90400
   54    55    68    50.00000  109.50000
   55    57    58    70.00000  124.00000
   55    57    73    65.00000  117.92700
   55    68    62    58.35000  112.70000
   55    68    69    37.50000  110.70000
   57    55    56    35.00000  109.50000
   57    58    59    70.00000  124.00000
   57    58    62    70.00000  124.00000
   57    73    70    70.00000  112.02700
   57    73    74    35.00000  109.50000
   57    73    75    70.00000  112.02700
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    65    70.00000  112.02700
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    68    70.00000  112.02700
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    57    58    70.00000  124.00000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   75    73    74    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   62    58    59    65.00000  117.92700
   62    68    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    51    52    65.00000  116.34900
   68    55    56    37.50000  110.70000
   68    55    57    70.00000  112.02700
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.56750  1.0 1.0
   29    33    46    48  -0.07550 -1.0 2.0
   29    33    46    48   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    45   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    44   0.34800  1.0 3.0
   33    46    48    49  -0.46850  1.0 1.0
   33    46    48    49   0.09300 -1.0 2.0
   33    46    48    49  -0.12850  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    46    45   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.23400  1.0 3.0
   38    33   -46    45   0.61850  1.0 1.0
   38    33   -46    45  -0.22750 -1.0 2.0
   38    33   -46    45   0.15300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.61850  1.0 1.0
   38    33    46    48  -0.22750 -1.0 2.0
   38    33    46    48   0.15300  1.0 3.0
   38    39   -45    46  -2.26850  1.0 1.0
   38    39   -45    46   3.39050 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    44   0.00000  1.0 1.0
   39    45   -46    33  -0.46850  1.0 1.0
   39    45   -46    33   0.09300 -1.0 2.0
   39    45   -46    33  -0.12850  1.0 3.0
   39    45    46    47   0.08050  1.0 3.0
   39    45    46    48  -0.48150  1.0 1.0
   39    45    46    48   0.09250 -1.0 2.0
   39    45    46    48  -0.12850  1.0 3.0
   40    39    45    46   2.00000 -1.0 2.0
   45    46    48    49  -0.48150  1.0 1.0
   45    46    48    49   0.09250 -1.0 2.0
   45    46    48    49  -0.12850  1.0 3.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    41   0.46850  1.0 1.0
   46    33    38    41   0.08550 -1.0 2.0
   46    33    38    41   0.09800  1.0 3.0
   46    48    49    50   0.50000 -1.0 2.0
   46    48    49    51  -2.26850  1.0 1.0
   46    48    49    51   3.39050 -1.0 2.0
   47    46    48    49   0.08050  1.0 3.0
   48    49    51    52   7.00000 -1.0 2.0
   48    49    51    68   7.00000 -1.0 2.0
   49    51    52    53   1.00000 -1.0 2.0
   49    51    52    54  -0.56150  1.0 1.0
   49    51    52    54   2.19150 -1.0 2.0
   49    51    68    55   0.09850  1.0 1.0
   49    51    68    55   0.15250 -1.0 2.0
   49    51    68    55  -0.50650  1.0 3.0
   49    51    68    62   0.09850  1.0 1.0
   49    51    68    62   0.15250 -1.0 2.0
   49    51    68    62  -0.50650  1.0 3.0
   49    51    68    69   0.00000  1.0 1.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    68   7.00000 -1.0 2.0
   51    52   -54    55   2.00000 -1.0 2.0
   52    51   -68    55   0.09700  1.0 1.0
   52    51   -68    55   0.15600 -1.0 2.0
   52    51   -68    55  -0.50800  1.0 3.0
   52    51    68    62   0.09700  1.0 1.0
   52    51    68    62   0.15600 -1.0 2.0
   52    51    68    62  -0.50800  1.0 3.0
   52    51    68    69   0.15000  1.0 3.0
   52    54    55    56   0.08050  1.0 3.0
   52    54    55    57  -0.82050  1.0 1.0
   52    54    55    57   0.00600 -1.0 2.0
   52    54    55    57   0.04400  1.0 3.0
   52    54   -55    68  -0.25900  1.0 1.0
   52    54   -55    68  -0.47000 -1.0 2.0
   52    54   -55    68   0.11750  1.0 3.0
   53    52    54    55   3.00000 -1.0 2.0
   54    55    57    58   0.39000  1.0 1.0
   54    55    57    58  -0.05800 -1.0 2.0
   54    55    57    58  -0.55150  1.0 3.0
   54    55    57    73   0.09700  1.0 1.0
   54    55    57    73   0.15600 -1.0 2.0
   54    55    57    73  -0.50800  1.0 3.0
   54    55   -68    51   0.61850  1.0 1.0
   54    55   -68    51  -0.22750 -1.0 2.0
   54    55   -68    51   0.15300  1.0 3.0
   54    55    68    62   0.62750  1.0 1.0
   54    55    68    62  -0.30950 -1.0 2.0
   54    55    68    62   0.27300  1.0 3.0
   54    55    68    69   0.23400  1.0 3.0
   55    57    58    59   7.00000 -1.0 2.0
   55    57   -58    62   7.00000 -1.0 2.0
   55    57    73    70   0.46850  1.0 1.0
   55    57    73    70   0.08550 -1.0 2.0
   55    57    73    70   0.09800  1.0 3.0
   55    57    73    74   0.34800  1.0 3.0
   55    57    73    75   0.46850  1.0 1.0
   55    57    73    75   0.08550 -1.0 2.0
   55    57    73    75   0.09800  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    73   0.34800  1.0 3.0
   56    55    68    51   0.15000  1.0 3.0
   56    55    68    62   0.15000  1.0 3.0
   56    55    68    69   0.15000  1.0 3.0
   57    55    68    51   0.31000  1.0 1.0
   57    55    68    51   0.14700 -1.0 2.0
   57    55    68    51   0.07550  1.0 3.0
   57    55   -68    62   0.34400  1.0 1.0
   57    55   -68    62   0.09450 -1.0 2.0
   57    55   -68    62   0.11100  1.0 3.0
   57    55    68    69   0.15000  1.0 3.0
   57    58    59    60   0.00000  1.0 1.0
   57    58    59    61   0.00000  1.0 1.0
   57    58    59    65   0.09850  1.0 1.0
   57    58    59    65   0.15250 -1.0 2.0
   57    58    59    65  -0.50650  1.0 3.0
   57    58    62    63   0.00000  1.0 1.0
   57    58    62    64   0.00000  1.0 1.0
   57    58   -62    68   0.09850  1.0 1.0
   57    58   -62    68   0.15250 -1.0 2.0
   57    58   -62    68  -0.50650  1.0 3.0
   57    73    75    76   0.15000  1.0 3.0
   57    73    75    77   0.15000  1.0 3.0
   57    73    75    78   0.15000  1.0 3.0
   58    57    73    70   0.09850  1.0 1.0
   58    57    73    70   0.15250 -1.0 2.0
   58    57    73    70  -0.50650  1.0 3.0
   58    57    73    74   0.00000  1.0 1.0
   58    57    73    75   0.09850  1.0 1.0
   58    57    73    75   0.15250 -1.0 2.0
   58    57    73    75  -0.50650  1.0 3.0
   58    59    65    66   0.15000  1.0 3.0
   58    59    65    67   0.15000  1.0 3.0
   58    59   -65    70   0.34400  1.0 1.0
   58    59   -65    70   0.09450 -1.0 2.0
   58    59   -65    70   0.11100  1.0 3.0
   58    62    68    51   0.31000  1.0 1.0
   58    62    68    51   0.14700 -1.0 2.0
   58    62    68    51   0.07550  1.0 3.0
   58    62   -68    55   0.34400  1.0 1.0
   58    62   -68    55   0.09450 -1.0 2.0
   58    62   -68    55   0.11100  1.0 3.0
   58    62    68    69   0.15000  1.0 3.0
   59    58    62    63   0.34800  1.0 3.0
   59    58    62    64   0.34800  1.0 3.0
   59    58    62    68   0.46850  1.0 1.0
   59    58    62    68   0.08550 -1.0 2.0
   59    58    62    68   0.09800  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    73   0.56750  1.0 1.0
   59    65    70    73  -0.07550 -1.0 2.0
   59    65    70    73   0.20000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    70   0.15000  1.0 3.0
   65    70   -73    57   0.34400  1.0 1.0
   65    70   -73    57   0.09450 -1.0 2.0
   65    70   -73    57   0.11100  1.0 3.0
   65    70    73    74   0.15000  1.0 3.0
   65    70    73    75   0.56750  1.0 1.0
   65    70    73    75  -0.07550 -1.0 2.0
   65    70    73    75   0.20000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  1.0 3.0
   70    73    75    76   0.15000  1.0 3.0
   70    73    75    77   0.15000  1.0 3.0
   70    73    75    78   0.15000  1.0 3.0
   71    70    73    57   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   72    70    73    57   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   73    57   -58    59   7.00000 -1.0 2.0
   73    57    58    62   7.00000 -1.0 2.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    78   0.15000  1.0 3.0
   62    58    59    60   0.34800  1.0 3.0
   62    58    59    61   0.34800  1.0 3.0
   62    58    59    65   0.46850  1.0 1.0
   62    58    59    65   0.08550 -1.0 2.0
   62    58    59    65   0.09800  1.0 3.0
   63    62    68    51   0.15000  1.0 3.0
   63    62    68    55   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   64    62    68    51   0.15000  1.0 3.0
   64    62    68    55   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   68    51    52    53  -0.64400  1.0 1.0
   68    51    52    53   0.26850 -1.0 2.0
   68    51   -52    54  -0.15000  1.0 1.0
   68    51   -52    54   0.89550 -1.0 2.0
   68    51   -52    54  -0.06900  1.0 3.0
   68    55   -57    58   0.09850  1.0 1.0
   68    55   -57    58   0.15250 -1.0 2.0
   68    55   -57    58  -0.50650  1.0 3.0
   68    55    57    73   0.46850  1.0 1.0
   68    55    57    73   0.08550 -1.0 2.0
   68    55    57    73   0.09800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    45    39    38   1.10000 -1.0 2.0
   48    50    49    51   1.10000 -1.0 2.0
   52    68    51    49   1.10000 -1.0 2.0
   51    54    52    53  10.50000 -1.0 2.0
   55    73    57    58   1.10000 -1.0 2.0
   59    62    58    57   1.10000 -1.0 2.0
END
