* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    138    212     412
    1     0 S   NP   _N1_     1    28.74623    94.71301   -21.30415
    2     1 S   H    _HN1     2     1.02960    91.14090    39.67820
    3     1 S   H    _H1_     3     1.02838    30.79675   162.35328
    4     1 S   H    _H2_     4     1.02781    88.97015   -68.61006
    5     1 S   CT   _CA1     5     1.50097   141.52748   165.57089
    6     5 S   HC   _HA1     6     1.09575   105.26239    57.42824
    7     5 S   CO3  _C1_     7     1.53790   112.33521   -62.81123
    8     7 S   O2Z  _O11     8     1.26357   115.03095   -45.85181
    9     7 S   O2Z  _O12     9     1.26241   114.92885   133.43611
   10     5 S   CT   _CB1    10     1.53105   107.43097   175.30719
   11    10 S   HC   HB11    11     1.09818   109.36352   -51.11743
   12    10 S   HC   HB12    12     1.09823   110.42483    65.44763
   13    10 S   CT   _CG1    13     1.52980   112.62685  -172.26422
   14    13 S   HC   HG11    14     1.09577   110.31722   -61.94567
   15    13 S   HC   HG12    15     1.09639   110.10317    57.16768
   16    13 S   C    _CD1    16     1.51828   112.28773   177.39797
   17    16 S   O    _OE1    17     1.22711   123.25425    -8.85293
   18    16 S   N    _N2_    18     1.38566   111.59418   171.67213
   19    18 S   H    _HN2    19     1.01596   118.97802     0.75173
   20    18 S   CT1  _CA2    20     1.46254   123.57854  -178.93725
   21    20 S   HC   _HA2    21     1.09729   109.41247   -14.46255
   22    20 S   C    _C2_    22     1.53504   108.17258  -130.07078
   23    22 S   O    _O2_    23     1.23009   122.28228  -146.78421
   24    20 S   CT   _CB2    32     1.53619   111.25640   107.88332
   25    24 S   HC   HB21    33     1.09260   108.90704    53.09932
   26    24 S   HC   HB22    34     1.09374   109.98335   171.32923
   27    22 S   N    _N3_    24     1.38514   113.34764    40.64036
   28    27 S   H    _HN3    25     1.01534   118.87862    -0.87514
   29    24 S   S    _SG2    35     1.83269   111.33627   -69.50611
   30    27 S   CT   _CA3    26     1.45466   123.64564   175.28894
   31    30 S   HC   HA31    27     1.09507   109.47398    19.16625
   32    30 S   HC   HA32    28     1.09502   107.05076   136.20452
   33    29 S   CT   _C10    36     1.89825   103.34367   155.41883
   34    30 S   CO3  _C3_    29     1.52914   112.99877  -104.48509
   35    34 S   O2Z  _O31    30     1.26417   115.37303   -44.74824
   36    34 S   O2Z  _O32    31     1.26349   115.00195   136.16273
   37    33 S   CT   _C15    37     1.61667   108.35773  -179.20845
   38    33 S   CM   _C9_    63     1.55511   109.13426   -62.06601
   39    38 S   HC   _H10    64     1.08903   114.71882   158.66967
   40    37 S   CT   _C14    38     1.55907   110.30822  -171.92934
   41    40 S   HC   _H13    39     1.09818   109.19303   -69.47139
   42    40 S   HC   _H14    40     1.09833   109.20246   175.14978
   43    37 S   CT   _C16    55     1.55248   114.88977   -48.19350
   44    43 S   HC   _H15    56     1.09500   112.13201    67.62551
   45    43 S   HC   _H16    57     1.08489   114.05565   -54.79675
   46    43 S   HC   _H17    58     1.09755   110.57759  -174.30756
   47    37 S   CT   _C17    59     1.56246   112.36894    70.20301
   48    47 S   HC   _H18    60     1.09462   112.02807   -56.35634
   49    47 S   HC   _H19    61     1.09733   110.78995  -175.77942
   50    47 S   HC   _H20    62     1.09442   112.43742    65.87531
   51    38 S   CM   _C8_    65     1.34618   129.27643   -23.34784
   52    51 S   HC   _H9_    66     1.08555   120.82762    -2.98721
   53    40 S   CT   _C13    41     1.52547   115.42374    52.08320
   54    53 S   HC   _H3_    42     1.09658   108.67599  -172.55982
   55    51 S   CM   _C5_    67     1.45367   124.46652  -177.88511
   56    53 S   CT   _C12    43     1.52149   112.14394   -52.93631
   57    56 S   HC   _H11    44     1.09883   109.31353   174.57209
   58    56 S   HC   _H12    45     1.09763   108.69493   -71.99437
   59    53 S   OH   _O34    53     1.42026   111.36193    70.86850
   60    59 S   HO   _H21    54     0.97252   107.70975    56.73835
   61    55 S   CM   _C6_    68     1.34458   125.94590   -60.87103
   62    61 S   HC   _H7_    69     1.08669   120.30436   179.86730
   63    55 S   CT   _C4_    73     1.50620   113.52634   120.70186
   64    63 S   HC   _H4_    74     1.09494   110.62989    58.81917
   65    63 S   HC   _H5_    75     1.09563   110.51712   -61.31921
   66    63 S   HC   _H6_    76     1.09545   112.17322   178.76109
   67    33 S   CT   _C11    46     1.60481   111.23059    57.32426
   68    61 S   CO4  _C7_    70     1.47975   125.07822    -1.78838
   69    68 S   O    _O33    71     1.22591   121.55041   177.29014
   70    68 S   HC   _H8_    72     1.09931   117.07073    -3.35164
   71    67 S   CT   _C18    47     1.54276   117.16080    42.11376
   72    71 S   HC   _H22    48     1.09282   112.54286   -58.61677
   73    71 S   HC   _H23    49     1.09811   110.06687  -174.74663
   74    71 S   HC   _H24    50     1.08618   114.40750    65.58405
   75    67 S   OH   _O35    51     1.44843   108.17225   -75.05296
   76    75 S   HO   _H25    52     0.97273   108.35324  -176.24068
  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  12   5   4   3
  28   2   1   1  21  13   4  18   7   6   9   3   2   1   5   2
   1   1  10   3   9   6   9  11   5   4   2   1   8   4   4   2
   1   1   6   2   1   1   5   3   2   1   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    67    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    67    71    75    43    47    38    39    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    42    53    56    57    58    67    71    72    73    74    75    76    43    44    45    46    47    48    49    50    38    39    51    52    55  
   35    36  
   36  
    0  
   40    41    42    53    54    56    67    71    75    59    43    44    45    46    47    48    49    50    38    39    51  
   39    51    52    55    61    63    40    43    47    56    67    71    75  
   51    52    55    67  
   41    42    53    54    56    57    58    67    59    60    43    44    45    46    47    48    49    50  
   42    53    54    56    59    43    47  
   53    54    56    59    43    47  
   44    45    46    47    48    49    50    53    67  
   45    46    47  
   46    47  
   47  
   48    49    50    53    67  
   49    50  
   50  
    0  
   52    55    61    62    68    63    64    65    66    67  
   55    61    63  
   54    56    57    58    67    71    75    59    60  
   56    57    58    67    59    60  
   61    62    68    69    70    63    64    65    66  
   57    58    67    71    72    73    74    75    76    59    60  
   58    67    71    75    59  
   67    71    75    59  
   60    67  
    0  
   62    68    69    70    63    64    65    66  
   68    69    70    63  
   64    65    66    68  
   65    66  
   66  
    0  
   71    72    73    74    75    76  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75  
   76  
    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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   70   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    67   268.000  1.529
   33    38   317.000  1.510
   37    40   268.000  1.529
   37    43   268.000  1.529
   37    47   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    53   268.000  1.529
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    67   268.000  1.529
   67    71   268.000  1.529
   67    75   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   553.000  0.945
   59    60   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    39   340.000  1.080
   38    51   549.000  1.340
   51    52   340.000  1.080
   51    55   380.000  1.444
   55    61   549.000  1.340
   55    63   317.000  1.510
   61    62   340.000  1.080
   61    68   320.000  1.462
   68    69   570.000  1.229
   68    70   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  111.63000
   29    33    67    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    58.35000  112.70000
   33    37    43    58.35000  112.70000
   33    37    47    58.35000  112.70000
   33    67    56    58.35000  112.70000
   33    67    71    58.35000  112.70000
   33    67    75    50.00000  109.50000
   33    38    39    35.00000  117.00000
   33    38    51    70.00000  124.00000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    53    58.35000  112.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    37.50000  110.70000
   40    53    54    37.50000  110.70000
   40    53    56    58.35000  112.70000
   40    53    59    50.00000  109.50000
   42    40    41    33.00000  107.80000
   53    40    41    37.50000  110.70000
   53    40    42    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    67    58.35000  112.70000
   53    59    60    55.00000  108.50000
   56    53    54    37.50000  110.70000
   56    67    71    58.35000  112.70000
   56    67    75    50.00000  109.50000
   58    56    57    33.00000  107.80000
   67    33    37    58.35000  112.70000
   67    56    57    37.50000  110.70000
   67    56    58    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   67    75    76    55.00000  108.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    67    71    50.00000  109.50000
   59    53    54    35.00000  109.50000
   59    53    56    50.00000  109.50000
   43    37    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    37    40    58.35000  112.70000
   47    37    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    67    70.00000  112.02700
   38    51    52    35.00000  120.00000
   38    51    55    70.00000  123.01800
   51    38    39    35.00000  120.00000
   51    55    61    70.00000  123.01800
   51    55    63    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    61    62    35.00000  120.00000
   55    61    68    65.00000  118.96000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    68    69    80.00000  123.72100
   61    68    70    40.00000  115.75000
   68    61    62    40.00000  117.72500
   70    68    69    35.00000  123.00000
   63    55    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    67    56   0.44750  1.0 1.0
   29    33    67    56  -0.17800 -1.0 2.0
   29    33    67    56   0.20200  1.0 3.0
   29    33    67    71   0.44750  1.0 1.0
   29    33    67    71  -0.17800 -1.0 2.0
   29    33    67    71   0.20200  1.0 3.0
   29    33    67    75   0.56750  1.0 1.0
   29    33    67    75  -0.07550 -1.0 2.0
   29    33    67    75   0.20000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    51   0.42700  1.0 1.0
   29    33    38    51  -0.70350 -1.0 2.0
   29    33    38    51  -0.43150  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    53   0.56750  1.0 1.0
   33    37    40    53  -0.07550 -1.0 2.0
   33    37    40    53   0.20000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.15000  1.0 3.0
   33    67    71    72   0.15000  1.0 3.0
   33    67    71    73   0.15000  1.0 3.0
   33    67    71    74   0.15000  1.0 3.0
   33    67    75    76  -0.11600  1.0 1.0
   33    67    75    76  -0.09450 -1.0 2.0
   33    67    75    76   0.21250  1.0 3.0
   33    38    51    52   7.00000 -1.0 2.0
   33    38    51    55   7.00000 -1.0 2.0
   37    33    67    56   0.56750  1.0 1.0
   37    33    67    56  -0.07550 -1.0 2.0
   37    33    67    56   0.20000  1.0 3.0
   37    33    67    71   0.56750  1.0 1.0
   37    33    67    71  -0.07550 -1.0 2.0
   37    33    67    71   0.20000  1.0 3.0
   37    33    67    75   0.86500  1.0 1.0
   37    33    67    75  -0.17500 -1.0 2.0
   37    33    67    75   0.20800  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    51   0.09850  1.0 1.0
   37    33    38    51   0.15250 -1.0 2.0
   37    33    38    51  -0.50650  1.0 3.0
   37    40    53    54   0.15000  1.0 3.0
   37    40   -53    56   0.56750  1.0 1.0
   37    40   -53    56  -0.07550 -1.0 2.0
   37    40   -53    56   0.20000  1.0 3.0
   37    40    53    59   0.86500  1.0 1.0
   37    40    53    59  -0.17500 -1.0 2.0
   37    40    53    59   0.20800  1.0 3.0
   40    37    43    44   0.15000  1.0 3.0
   40    37    43    45   0.15000  1.0 3.0
   40    37    43    46   0.15000  1.0 3.0
   40    37    47    48   0.15000  1.0 3.0
   40    37    47    49   0.15000  1.0 3.0
   40    37    47    50   0.15000  1.0 3.0
   40    53    56    57   0.15000  1.0 3.0
   40    53    56    58   0.15000  1.0 3.0
   40    53    56    67   0.56750  1.0 1.0
   40    53    56    67  -0.07550 -1.0 2.0
   40    53    56    67   0.20000  1.0 3.0
   40    53    59    60  -0.11600  1.0 1.0
   40    53    59    60  -0.09450 -1.0 2.0
   40    53    59    60   0.21250  1.0 3.0
   41    40    53    54   0.15000  1.0 3.0
   41    40    53    56   0.15000  1.0 3.0
   41    40    53    59   0.23400  1.0 3.0
   42    40    53    54   0.15000  1.0 3.0
   42    40    53    56   0.15000  1.0 3.0
   42    40    53    59   0.23400  1.0 3.0
   53    56   -67    33   0.56750  1.0 1.0
   53    56   -67    33  -0.07550 -1.0 2.0
   53    56   -67    33   0.20000  1.0 3.0
   53    56    67    71   0.56750  1.0 1.0
   53    56    67    71  -0.07550 -1.0 2.0
   53    56    67    71   0.20000  1.0 3.0
   53    56    67    75   0.86500  1.0 1.0
   53    56    67    75  -0.17500 -1.0 2.0
   53    56    67    75   0.20800  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    67   0.15000  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   56    53    59    60  -0.11600  1.0 1.0
   56    53    59    60  -0.09450 -1.0 2.0
   56    53    59    60   0.21250  1.0 3.0
   56    67    71    72   0.15000  1.0 3.0
   56    67    71    73   0.15000  1.0 3.0
   56    67    71    74   0.15000  1.0 3.0
   56    67    75    76  -0.11600  1.0 1.0
   56    67    75    76  -0.09450 -1.0 2.0
   56    67    75    76   0.21250  1.0 3.0
   57    56    67    33   0.15000  1.0 3.0
   57    56    67    71   0.15000  1.0 3.0
   57    56    67    75   0.23400  1.0 3.0
   58    56    67    33   0.15000  1.0 3.0
   58    56    67    71   0.15000  1.0 3.0
   58    56    67    75   0.23400  1.0 3.0
   67    33   -37    40   0.56750  1.0 1.0
   67    33   -37    40  -0.07550 -1.0 2.0
   67    33   -37    40   0.20000  1.0 3.0
   67    33    37    43   0.56750  1.0 1.0
   67    33    37    43  -0.07550 -1.0 2.0
   67    33    37    43   0.20000  1.0 3.0
   67    33    37    47   0.56750  1.0 1.0
   67    33    37    47  -0.07550 -1.0 2.0
   67    33    37    47   0.20000  1.0 3.0
   67    33    38    39   0.00000  1.0 1.0
   67    33    38    51   0.09850  1.0 1.0
   67    33    38    51   0.15250 -1.0 2.0
   67    33    38    51  -0.50650  1.0 3.0
   71    67    75    76  -0.11600  1.0 1.0
   71    67    75    76  -0.09450 -1.0 2.0
   71    67    75    76   0.21250  1.0 3.0
   75    67    71    72   0.23400  1.0 3.0
   75    67    71    73   0.23400  1.0 3.0
   75    67    71    74   0.23400  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    67   0.86500  1.0 1.0
   59    53    56    67  -0.17500 -1.0 2.0
   59    53    56    67   0.20800  1.0 3.0
   43    37    40    41   0.15000  1.0 3.0
   43    37    40    42   0.15000  1.0 3.0
   43    37    40    53   0.56750  1.0 1.0
   43    37    40    53  -0.07550 -1.0 2.0
   43    37    40    53   0.20000  1.0 3.0
   43    37    47    48   0.15000  1.0 3.0
   43    37    47    49   0.15000  1.0 3.0
   43    37    47    50   0.15000  1.0 3.0
   47    37    40    41   0.15000  1.0 3.0
   47    37    40    42   0.15000  1.0 3.0
   47    37    40    53   0.56750  1.0 1.0
   47    37    40    53  -0.07550 -1.0 2.0
   47    37    40    53   0.20000  1.0 3.0
   47    37    43    44   0.15000  1.0 3.0
   47    37    43    45   0.15000  1.0 3.0
   47    37    43    46   0.15000  1.0 3.0
   38    33    37    40   0.34400  1.0 1.0
   38    33    37    40   0.09450 -1.0 2.0
   38    33    37    40   0.11100  1.0 3.0
   38    33    37    43   0.34400  1.0 1.0
   38    33    37    43   0.09450 -1.0 2.0
   38    33    37    43   0.11100  1.0 3.0
   38    33    37    47   0.34400  1.0 1.0
   38    33    37    47   0.09450 -1.0 2.0
   38    33    37    47   0.11100  1.0 3.0
   38    33    67    56   0.34400  1.0 1.0
   38    33    67    56   0.09450 -1.0 2.0
   38    33    67    56   0.11100  1.0 3.0
   38    33    67    71   0.34400  1.0 1.0
   38    33    67    71   0.09450 -1.0 2.0
   38    33    67    71   0.11100  1.0 3.0
   38    33    67    75   1.05650  1.0 1.0
   38    33    67    75   0.15600 -1.0 2.0
   38    33    67    75   0.53150  1.0 3.0
   38    51    55    61   0.28850  1.0 1.0
   38    51    55    61   2.61350 -1.0 2.0
   38    51    55    61   0.78400  1.0 3.0
   38    51    55    63  -0.18600  1.0 3.0
   39    38    51    52   7.00000 -1.0 2.0
   39    38    51    55   7.00000 -1.0 2.0
   51    55    61    62   7.00000 -1.0 2.0
   51    55    61    68   7.00000 -1.0 2.0
   51    55    63    64   0.00000  1.0 1.0
   51    55    63    65   0.00000  1.0 1.0
   51    55    63    66   0.00000  1.0 1.0
   52    51    55    61  -0.18600  1.0 3.0
   52    51    55    63   0.00000  1.0 1.0
   55    61    68    69   1.00000 -1.0 2.0
   55    61    68    70  -0.79650  1.0 1.0
   55    61    68    70   1.60950 -1.0 2.0
   55    61    68    70  -0.26250  1.0 3.0
   61    55    63    64   0.00000  1.0 1.0
   61    55    63    65   0.00000  1.0 1.0
   61    55    63    66   0.00000  1.0 1.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    70   0.93100 -1.0 2.0
   63    55    61    62   7.00000 -1.0 2.0
   63    55    61    68   7.00000 -1.0 2.0
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    39    38    51  15.00000 -1.0 2.0
   55    52    51    38  15.00000 -1.0 2.0
   51    63    55    61  15.00000 -1.0 2.0
   68    62    61    55  15.00000 -1.0 2.0
   61    70    68    69  10.50000 -1.0 2.0
END
