* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    148    248     445
    1     0 S   NP   _N1_     1    29.43037    98.40343   -17.21739
    2     1 S   H    _HN1     2     1.02786    69.97272  -111.51896
    3     1 S   H    _H1_     3     1.02950    65.42043    10.78565
    4     1 S   H    _H2_     4     1.02833    71.28284   130.58510
    5     1 S   CT   _CA1     5     1.50111   175.88886    10.39290
    6     5 S   HC   _HA1     6     1.09569   105.24638   178.33940
    7     5 S   CO3  _C1_     7     1.53848   112.18396    58.04939
    8     7 S   O2Z  _O11     8     1.26377   115.06951   -47.68609
    9     7 S   O2Z  _O12     9     1.26218   114.96120   131.32459
   10     5 S   CT   _CB1    10     1.53087   107.39848   -63.70689
   11    10 S   HC   HB11    11     1.09826   109.61809   -49.08855
   12    10 S   HC   HB12    12     1.09816   110.33502    67.55570
   13    10 S   CT   _CG1    13     1.52987   112.53588  -170.04296
   14    13 S   HC   HG11    14     1.09477   110.34258   -60.86021
   15    13 S   HC   HG12    15     1.09637   109.98866    58.33984
   16    13 S   C    _CD1    16     1.51781   112.21907   179.06205
   17    16 S   O    _OE1    17     1.22751   123.19248     2.24455
   18    16 S   N    _N2_    18     1.38680   111.83651  -178.26100
   19    18 S   H    _HN2    19     1.01637   119.04703     2.76577
   20    18 S   CT1  _CA2    20     1.46345   123.17479  -178.86996
   21    20 S   HC   _HA2    21     1.09733   109.29243    -2.37636
   22    20 S   C    _C2_    22     1.53363   108.94940  -118.10157
   23    22 S   O    _O2_    23     1.23052   122.21083  -149.17767
   24    20 S   CT   _CB2    32     1.53478   111.40405   119.26700
   25    24 S   HC   HB21    33     1.09228   109.36160    61.80234
   26    24 S   HC   HB22    34     1.09517   110.47187   179.54846
   27    22 S   N    _N3_    24     1.38311   113.64469    38.35304
   28    27 S   H    _HN3    25     1.01620   119.53712    -3.78217
   29    24 S   S    _SG2    35     1.83092   110.80765   -61.37689
   30    27 S   CT   _CA3    26     1.45287   123.13164   176.93414
   31    30 S   HC   HA31    27     1.09553   107.55950   -62.92273
   32    30 S   HC   HA32    28     1.09558   107.90758    53.47805
   33    29 S   CT   _C12    36     1.87628   102.13044   142.34845
   34    30 S   CO3  _C3_    29     1.52937   114.14024   175.43125
   35    34 S   O2Z  _O31    30     1.26367   116.06790    -0.81325
   36    34 S   O2Z  _O32    31     1.26434   114.41208   179.22671
   37    33 S   CO4  _C13    37     1.54019   103.58107  -177.42435
   38    37 S   O    _O33    38     1.22869   122.94026   -92.88723
   39    33 S   CO4  _C11    51     1.52680   106.25615   -59.71970
   40    39 S   O    _O34    52     1.22457   125.62466   104.71690
   41    33 S   CT   _C14    53     1.57247   112.63819    60.53659
   42    41 S   HC   _H7_    54     1.10025   107.22351   -70.86676
   43    37 S   CA   _C7_    39     1.48818   118.69027    83.21772
   44    41 S   CT   _C15    55     1.54927   111.83766   173.38684
   45    44 S   HC   _H8_    56     1.09531   110.68446    53.65923
   46    44 S   HC   _H9_    57     1.09586   110.54594   -64.19477
   47    43 S   CA   _C6_    40     1.40180   118.93798  -167.59921
   48    47 S   HA   _H5_    41     1.08733   121.18195    -1.40347
   49    44 S   CT   _C16    58     1.52900   112.02279   174.73087
   50    49 S   HC   _H10    59     1.09724   109.19919   178.04896
   51    49 S   HC   _H11    60     1.09731   108.83683   -66.08906
   52    47 S   CA   _C5_    42     1.39597   120.30372   177.77446
   53    52 S   HA   _H4_    43     1.08646   119.95666  -179.58693
   54    49 S   CT   _C17    61     1.53532   111.35584    56.39254
   55    54 S   HC   _H12    62     1.09954   107.11216    60.88187
   56    52 S   CA   _C4_    44     1.39259   120.09332     0.00000
   57    56 S   HA   _H3_    45     1.08654   120.12178  -179.56659
   58    54 S   CA   _C20    63     1.51817   111.87081   179.02763
   59    54 S   CT   _C18    74     1.53525   110.64810   -55.51430
   60    59 S   HC   _H13    75     1.09747   110.72911   -66.03010
   61    59 S   HC   _H14    76     1.09732   109.96991   176.65590
   62    56 S   CA   _C9_    46     1.39385   119.97096     0.40638
   63    62 S   HA   _H6_    47     1.08746   118.81605   179.66312
   64    58 S   CA   _C21    64     1.40379   119.72193  -117.76413
   65    64 S   HA   _H17    65     1.08757   120.40874     0.01978
   66    41 S   CT   _C19    77     1.54693   116.01393    46.69310
   67    66 S   HC   _H15    78     1.09447   110.91748    61.21738
   68    66 S   HC   _H16    79     1.09418   111.08024   -57.49284
   69    43 S   CA   _C8_    48     1.39585   121.73059    10.70576
   70    64 S   CA   _C22    66     1.39665   120.81579  -179.98022
   71    70 S   HA   _H18    67     1.08668   119.37538  -180.00000
   72    69 S   CO4  _C10    49     1.46732   120.86894     3.17958
   73    72 S   O    _O35    50     1.22107   123.15768  -176.10263
   74    70 S   CA   _C23    68     1.39291   119.72361     0.02798
   75    74 S   Cl   Cl1_    69     1.72171   119.80924   180.00000
   76    74 S   CA   _C24    70     1.39293   120.38336     0.02798
   77    76 S   HA   _H19    71     1.08669   120.89785   179.97202
   78    58 S   CA   _C25    72     1.40387   121.73784    62.24865
   79    78 S   HA   _H20    73     1.08723   120.51509     0.02798
  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  11   5   4   3
  19   2   1   1  14   5  10   4  16   8  10  12   6   5   8   4
  11   5   4   6   3  14   7   5   3  13   7   4   3   4   2   8
   4   2   1   1   2   6   3   1   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    72    39    40    41    42    44    66  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    47    69    72    73    39    40    41    42    44    45    46    49    59    66    67    68  
   35    36  
   36  
    0  
   38    43    47    48    52    62    69    72    39    40    41    42    44    66  
   43    47    69    39    41  
   40    41    42    44    66    43    62    69    72    73  
   41    69    72    73  
   42    44    45    46    49    50    51    54    59    60    61    66    67    68    43    72  
   44    45    46    49    59    66    67    68  
   47    48    52    53    56    62    63    69    72    73  
   45    46    49    50    51    54    55    58    59    66    67    68  
   46    49    50    51    54    66  
   49    50    51    54    66  
   48    52    53    56    57    62    69    72  
   52    53    56    69  
   50    51    54    55    58    64    78    59    60    61    66  
   51    54    55    58    59  
   54    55    58    59  
   53    56    57    62    63    69  
   56    57    62  
   55    58    64    65    70    76    78    79    59    60    61    66    67    68  
   58    64    78    59    60    61    66  
   57    62    63    69    72  
   62    63    69  
   64    65    70    71    74    76    77    78    79    59    60    61    66  
   60    61    66    67    68    64    78  
   61    66    67    68  
   66    67    68  
   63    69    72    73  
   69    72  
   65    70    71    74    75    76    78    79  
   70    71    74    78  
   67    68  
   68  
    0  
   72    73  
   71    74    75    76    77    78  
   74    75    76  
   73  
    0  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   317.000  1.522
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    47   469.000  1.400
   43    69   469.000  1.400
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    62   469.000  1.400
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    72   310.000  1.470
   72    73   570.000  1.229
   72    39   250.000  1.523
   39    40   570.000  1.229
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    66   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    58   317.000  1.510
   54    59   268.000  1.529
   58    64   469.000  1.400
   58    78   469.000  1.400
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   300.000  1.725
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  110.18000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    72    65.00000  115.45000
   33    39    40    80.00000  120.40000
   33    41    42    37.50000  110.70000
   33    41    44    58.35000  112.70000
   33    41    66    58.35000  112.70000
   37    43    47    60.00000  119.52600
   37    43    69    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    47    48    35.00000  120.00000
   43    47    52    63.00000  120.00000
   43    69    62    63.00000  120.00000
   43    69    72    60.00000  119.52600
   47    52    53    35.00000  120.00000
   47    52    56    63.00000  120.00000
   52    47    48    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    62    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    62    63    35.00000  120.00000
   56    62    69    63.00000  120.00000
   62    56    57    35.00000  120.00000
   62    69    72    60.00000  119.52600
   69    43    47    63.00000  120.00000
   69    62    63    35.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    39    60.00000  117.28700
   72    39    40    80.00000  119.30300
   39    33    37    75.00000  107.99600
   39    72    73    80.00000  119.30300
   41    33    37    63.00000  111.10000
   41    33    39    63.00000  111.10000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    49    58.35000  112.70000
   41    66    59    58.35000  112.70000
   41    66    67    37.50000  110.70000
   41    66    68    37.50000  110.70000
   44    41    42    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    54    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    58    70.00000  112.17500
   49    54    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    58    64    70.00000  120.00000
   54    58    78    70.00000  120.00000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    66    58.35000  112.70000
   58    54    55    35.00000  109.50000
   58    64    65    35.00000  120.00000
   58    64    70    63.00000  120.00000
   58    78    76    63.00000  120.00000
   58    78    79    35.00000  120.00000
   64    70    71    35.00000  120.00000
   64    70    74    63.00000  120.00000
   70    64    65    35.00000  120.00000
   70    74    75    75.00000  120.00000
   70    74    76    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    75.00000  120.00000
   76    78    79    35.00000  120.00000
   78    58    64    63.00000  120.00000
   78    76    77    35.00000  120.00000
   59    54    55    37.50000  110.70000
   59    54    58    70.00000  112.17500
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   61    59    60    33.00000  107.80000
   66    41    42    37.50000  110.70000
   66    41    44    58.35000  112.70000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   68    66    67    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    72   0.65300  1.0 1.0
   29    33    39    72  -0.03850 -1.0 2.0
   29    33    39    72   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   33    37    43    47   2.26350  1.0 1.0
   33    37    43    47   0.76750 -1.0 2.0
   33    37    43    47   0.22500  1.0 3.0
   33    37    43    69   2.26350  1.0 1.0
   33    37    43    69   0.76750 -1.0 2.0
   33    37    43    69   0.22500  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    49   0.56750  1.0 1.0
   33    41    44    49  -0.07550 -1.0 2.0
   33    41    44    49   0.20000  1.0 3.0
   33    41    66    59   0.56750  1.0 1.0
   33    41    66    59  -0.07550 -1.0 2.0
   33    41    66    59   0.20000  1.0 3.0
   33    41    66    67   0.15000  1.0 3.0
   33    41    66    68   0.15000  1.0 3.0
   37    33    39    72   0.65300  1.0 1.0
   37    33    39    72  -0.03850 -1.0 2.0
   37    33    39    72   0.33900  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    44  -0.95700  1.0 1.0
   37    33    41    44  -0.18200 -1.0 2.0
   37    33    41    44   0.29450  1.0 3.0
   37    33    41    66  -0.95700  1.0 1.0
   37    33    41    66  -0.18200 -1.0 2.0
   37    33    41    66   0.29450  1.0 3.0
   37    43    47    48   3.62500 -1.0 2.0
   37    43    47    52   3.62500 -1.0 2.0
   37    43    69    62   3.62500 -1.0 2.0
   37    43   -69    72   3.62500 -1.0 2.0
   38    37    43    47   1.05000 -1.0 2.0
   38    37    43    69   1.05000 -1.0 2.0
   43    47    52    53   3.62500 -1.0 2.0
   43    47    52    56   3.62500 -1.0 2.0
   43    69    72    73   1.05000 -1.0 2.0
   43    69    72    39   0.56600 -1.0 2.0
   47    43    69    62   3.62500 -1.0 2.0
   47    43    69    72   3.62500 -1.0 2.0
   47    52    56    57   3.62500 -1.0 2.0
   47    52   -56    62   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    56   3.62500 -1.0 2.0
   52    56    62    63   3.62500 -1.0 2.0
   52    56    62    69   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    62   3.62500 -1.0 2.0
   56    62   -69    43   3.62500 -1.0 2.0
   56    62    69    72   3.62500 -1.0 2.0
   57    56    62    63   3.62500 -1.0 2.0
   57    56    62    69   3.62500 -1.0 2.0
   62    69    72    73   1.05000 -1.0 2.0
   62    69    72    39   0.56600 -1.0 2.0
   63    62    69    43   3.62500 -1.0 2.0
   63    62    69    72   3.62500 -1.0 2.0
   69    43    47    48   3.62500 -1.0 2.0
   69    43   -47    52   3.62500 -1.0 2.0
   69    72   -39    33   0.43900  1.0 1.0
   69    72   -39    33  -0.18150 -1.0 2.0
   69    72   -39    33  -0.03650  1.0 3.0
   69    72    39    40   0.03000  1.0 1.0
   69    72    39    40   0.58800 -1.0 2.0
   69    72    39    40   0.15550  1.0 3.0
   73    72    39    33   0.49600 -1.0 2.0
   73    72    39    40   0.06100 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.65300  1.0 1.0
   39    33   -37    43  -0.03850 -1.0 2.0
   39    33   -37    43   0.33900  1.0 3.0
   39    33    41    42  -0.11250  1.0 3.0
   39    33    41    44  -0.95700  1.0 1.0
   39    33    41    44  -0.18200 -1.0 2.0
   39    33    41    44   0.29450  1.0 3.0
   39    33    41    66  -0.95700  1.0 1.0
   39    33    41    66  -0.18200 -1.0 2.0
   39    33    41    66   0.29450  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.05850 -1.0 2.0
   41    33    37    43   0.17250  1.0 3.0
   41    33    39    72   0.65300  1.0 1.0
   41    33    39    72  -0.03850 -1.0 2.0
   41    33    39    72   0.33900  1.0 3.0
   41    33    39    40   0.30150 -1.0 2.0
   41    44    49    50   0.15000  1.0 3.0
   41    44    49    51   0.15000  1.0 3.0
   41    44    49    54   0.56750  1.0 1.0
   41    44    49    54  -0.07550 -1.0 2.0
   41    44    49    54   0.20000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    49   0.15000  1.0 3.0
   42    41    66    59   0.15000  1.0 3.0
   42    41    66    67   0.15000  1.0 3.0
   42    41    66    68   0.15000  1.0 3.0
   44    41    66    59   0.56750  1.0 1.0
   44    41    66    59  -0.07550 -1.0 2.0
   44    41    66    59   0.20000  1.0 3.0
   44    41    66    67   0.15000  1.0 3.0
   44    41    66    68   0.15000  1.0 3.0
   44    49    54    55   0.15000  1.0 3.0
   44    49    54    58  -0.03700  1.0 1.0
   44    49    54    58   0.37200 -1.0 2.0
   44    49    54    58  -0.47300  1.0 3.0
   44    49   -54    59   0.56750  1.0 1.0
   44    49   -54    59  -0.07550 -1.0 2.0
   44    49   -54    59   0.20000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    54   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    54   0.15000  1.0 3.0
   49    54    58    64   0.04150 -1.0 2.0
   49    54    58    78   0.04150 -1.0 2.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    61   0.15000  1.0 3.0
   49    54    59    66   0.56750  1.0 1.0
   49    54    59    66  -0.07550 -1.0 2.0
   49    54    59    66   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    58   0.43200  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    58   0.43200  1.0 3.0
   51    49    54    59   0.15000  1.0 3.0
   54    58    64    65   3.62500 -1.0 2.0
   54    58    64    70   3.62500 -1.0 2.0
   54    58    78    76   3.62500 -1.0 2.0
   54    58    78    79   3.62500 -1.0 2.0
   54    59   -66    41   0.56750  1.0 1.0
   54    59   -66    41  -0.07550 -1.0 2.0
   54    59   -66    41   0.20000  1.0 3.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   55    54    58    64   0.00000  1.0 1.0
   55    54    58    78   0.00000  1.0 1.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   58    54    59    60   0.43200  1.0 3.0
   58    54    59    61   0.43200  1.0 3.0
   58    54    59    66  -0.03700  1.0 1.0
   58    54    59    66   0.37200 -1.0 2.0
   58    54    59    66  -0.47300  1.0 3.0
   58    64    70    71   3.62500 -1.0 2.0
   58    64    70    74   3.62500 -1.0 2.0
   64    58    78    76   3.62500 -1.0 2.0
   64    58    78    79   3.62500 -1.0 2.0
   64    70    74    75   3.62500 -1.0 2.0
   64    70   -74    76   3.62500 -1.0 2.0
   65    64    70    71   3.62500 -1.0 2.0
   65    64    70    74   3.62500 -1.0 2.0
   70    74    76    77   3.62500 -1.0 2.0
   70    74    76    78   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   71    70    74    76   3.62500 -1.0 2.0
   74    76   -78    58   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   77    76    78    58   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    58    64    65   3.62500 -1.0 2.0
   78    58   -64    70   3.62500 -1.0 2.0
   59    54    58    64   0.04150 -1.0 2.0
   59    54    58    78   0.04150 -1.0 2.0
   60    59    66    41   0.15000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   61    59    66    41   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   66    41    44    45   0.15000  1.0 3.0
   66    41    44    46   0.15000  1.0 3.0
   66    41   -44    49   0.56750  1.0 1.0
   66    41   -44    49  -0.07550 -1.0 2.0
   66    41   -44    49   0.20000  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   47    69    43    37   4.00000 -1.0 2.0
   52    48    47    43   1.10000 -1.0 2.0
   56    53    52    47   1.10000 -1.0 2.0
   62    57    56    52   1.10000 -1.0 2.0
   69    63    62    56   1.10000 -1.0 2.0
   62    72    69    43   4.00000 -1.0 2.0
   69    39    72    73  10.50000 -1.0 2.0
   33    72    39    40  10.50000 -1.0 2.0
   64    78    58    54   4.00000 -1.0 2.0
   70    65    64    58   1.10000 -1.0 2.0
   74    71    70    64   1.10000 -1.0 2.0
   76    75    74    70   4.00000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   76    79    78    58   1.10000 -1.0 2.0
END
