* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    142    212     398
    1     0 S   NP   _N1_     1    28.68494    97.82482   -19.55087
    2     1 S   H    _HN1     2     1.02777    90.14546  -118.65198
    3     1 S   H    _H1_     3     1.02957    65.62666    -8.52063
    4     1 S   H    _H2_     4     1.02836    53.41807   128.97343
    5     1 S   CT   _CA1     5     1.50117   156.75087    76.57890
    6     5 S   HC   _HA1     6     1.09575   105.23271   102.02291
    7     5 S   CO3  _C1_     7     1.53792   112.37181   -18.19715
    8     7 S   O2Z  _O11     8     1.26362   115.00466   -44.23972
    9     7 S   O2Z  _O12     9     1.26237   114.93094   134.93475
   10     5 S   CT   _CB1    10     1.53103   107.43308  -140.05981
   11    10 S   HC   HB11    11     1.09825   109.35301   -50.69748
   12    10 S   HC   HB12    12     1.09817   110.41878    65.86325
   13    10 S   CT   _CG1    13     1.53009   112.64911  -171.78135
   14    13 S   HC   HG11    14     1.09598   110.46839   -63.75924
   15    13 S   HC   HG12    15     1.09655   109.94566    55.43053
   16    13 S   C    _CD1    16     1.51833   112.35052   175.81021
   17    16 S   O    _OE1    17     1.22739   123.29177    -1.17236
   18    16 S   N    _N2_    18     1.38531   111.64402   178.83972
   19    18 S   H    _HN2    19     1.01551   119.02837     4.79649
   20    18 S   CT1  _CA2    20     1.45933   123.00572   178.30719
   21    20 S   HC   _HA2    21     1.09696   109.06494    22.63353
   22    20 S   C    _C2_    22     1.52842   106.45503   -94.78389
   23    22 S   O    _O2_    23     1.23037   122.78416   -32.29526
   24    20 S   CT   _CB2    32     1.53200   112.01336   145.92495
   25    24 S   HC   HB21    33     1.09358   109.57860    56.10368
   26    24 S   HC   HB22    34     1.09424   109.84255   174.19694
   27    22 S   N    _N3_    24     1.38453   112.85418   150.24771
   28    27 S   H    _HN3    25     1.01674   120.37723    -0.51472
   29    24 S   S    _SG2    35     1.83193   110.62293   -65.71686
   30    27 S   CT   _CA3    26     1.45378   122.30554   178.81601
   31    30 S   HC   HA31    27     1.09572   107.33502   -66.11411
   32    30 S   HC   HA32    28     1.09580   108.04747    50.15428
   33    29 S   CT   _C6_    36     1.87430   101.71119   162.12405
   34    30 S   CO3  _C3_    29     1.52871   114.58495   172.24131
   35    34 S   O2Z  _O31    30     1.26297   116.16504    -2.59947
   36    34 S   O2Z  _O32    31     1.26475   114.35593   177.53955
   37    33 S   CM   _C11    37     1.54209   109.28040    52.58117
   38    33 S   CT   _C5_    72     1.55899   104.62584   171.34295
   39    38 S   HC   _H8_    73     1.09886   110.36317    55.79701
   40    38 S   HC   _H9_    74     1.09685   111.96034   -63.23798
   41    37 S   N4   _N4_    38     1.36356   119.68805  -120.25672
   42    37 S   CMA  _C12    69     1.53574   120.39969    69.65661
   43    42 S   OM   _O35    70     1.26269   120.65073   -88.46889
   44    42 S   OM   _O36    71     1.26429   120.84231    92.56240
   45    38 S   OS   _O33    75     1.43171   110.39278   174.41665
   46    41 S   C4   _C10    39     1.35351   136.46065  -168.54174
   47    46 S   O    _O34    40     1.20893   134.60749   -10.04806
   48    41 S   C4T  _C8_    43     1.44763   126.59386     8.52622
   49    48 S   HC   _H3_    44     1.09682   112.52485    80.45454
   50    45 S   CT   _C4_    76     1.41990   111.87049   175.94155
   51    50 S   HC   _H5_    77     1.09327   108.34819   179.02341
   52    50 S   HC   _H6_    78     1.09415   110.53568    60.10430
   53    50 S   HC   _H7_    79     1.09416   110.51760   -62.12680
   54    46 S   C4T  _C9_    41     1.56497    89.66961   165.94851
   55    54 S   HC   _H4_    42     1.09480   113.95112   124.78025
   56    48 S   S    _S1_    45     1.81126   110.05323   -48.07930
   57    33 S   CT   _C7_    46     1.56453   106.51317   -74.79056
   58    57 S   HC   _H10    47     1.09650   111.04931   -84.11299
   59    57 S   HC   _H11    48     1.09494   112.21283    33.74721
   60    54 S   N    _N5_    49     1.47882   112.98271  -105.75079
   61    60 S   H    _H12    50     1.01784   118.56320    99.58055
   62    60 S   C    _C13    51     1.37837   122.75084   -70.59697
   63    62 S   O    _O37    52     1.22031   128.41085   -10.59637
   64    62 S   CD   _C14    53     1.50907   112.40281   166.34782
   65    64 S   C5B  _C16    54     1.45410   118.92224   -70.53390
   66    64 S   NI   _N6_    63     1.29752   122.23740   108.89936
   67    65 S   C5A  _C17    55     1.38100   126.25729  -177.38940
   68    67 S   HA   _H16    56     1.08097   128.90188     0.87492
   69    66 S   OS   _O38    64     1.40169   111.33538    -0.59017
   70    67 S   SA   _S2_    57     1.71401   110.04484  -178.83332
   71    69 S   CT   _C15    65     1.41968   108.17403   179.36265
   72    71 S   HC   _H13    66     1.09316   108.47460  -180.00000
   73    71 S   HC   _H14    67     1.09444   110.33638    60.98439
   74    71 S   HC   _H15    68     1.09443   110.33843   -60.97480
   75    70 S   CRA  _C18    58     1.72298    90.00790     0.24866
   76    65 S   N5B  _N7_    59     1.38669   119.42828     3.60283
   77    75 S   NE   _N8_    60     1.34565   120.87240   179.10847
   78    77 S   H    _H17    61     1.01986   121.10723  -177.96577
   79    77 S   H    _H18    62     1.01284   122.60337    -0.01978
  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
  16   2   1   1  17  13   4   3  12   5   1   1   5   9   4  10
   5   3   2   1   1   8   4   4   2   1   1   6   3   7   3   9
   8   7   5   3   4   5   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    56    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    56    57    58    59    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    54    48    49    56    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    52    53    41    42    56    57    58    59  
   40    45    50    57  
   45    50    57  
   46    47    54    55    48    49    56    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    52    53    57  
   47    54    55    48    49    56    60    61    62  
   54    55    48    60  
   49    56    57    58    59    60    61    62    54    55  
   56    57    60    54    55  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    60    61    62    63    64  
   56    60    61    62  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    67    76    66    69  
   64    65    66  
   65    67    68    70    75    76    66    69    71  
   67    68    70    75    76    77    66    69  
   69    71    72    73    74    67    76  
   68    70    75    76    77  
   70    75    76  
   71    72    73    74  
   75    76    77    78    79  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79  
   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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   66   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   67   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   69   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   71   3.5000   0.0660   0.042500   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   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   76   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   77   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.360000   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   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    54   250.000  1.540
   54    55   340.000  1.090
   54    48   268.000  1.529
   54    60   337.000  1.449
   48    49   340.000  1.090
   48    56   200.000  1.824
   56    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   270.000  1.486
   64    65   305.000  1.466
   64    66   500.000  1.261
   65    67   520.000  1.370
   65    76   410.000  1.394
   67    68   367.000  1.080
   67    70   265.000  1.745
   70    75   250.000  1.765
   75    76   488.000  1.335
   75    77   420.000  1.385
   77    78   434.000  1.010
   77    79   434.000  1.010
   66    69   320.000  1.394
   69    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    56    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    54    95.00000   92.72400
   41    48    54   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    56    80.00000  108.62000
   46    54    55    40.00000  113.37500
   46    54    48   100.00000   86.36000
   46    54    60    75.00000  110.24000
   54    46    47    60.00000  136.58000
   54    48    49    37.50000  110.70000
   54    48    56    65.00000  119.05700
   54    60    61    38.00000  118.40000
   54    60    62    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    54    55    37.50000  110.70000
   48    56    57    85.00000   99.86700
   56    48    49    45.00000  109.41400
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    54    55    50.00000  112.01000
   60    54    48    80.00000  110.05700
   60    62    63    80.00000  122.90000
   60    62    64    75.00000  109.57000
   62    60    61    35.00000  119.80000
   62    64    65    75.00000  114.44000
   62    64    66    65.00000  123.79500
   64    62    63    80.00000  120.45000
   64    65    67    60.00000  121.09900
   64    65    76    60.00000  126.00000
   64    66    69   100.00000  109.52600
   65    67    68    35.00000  130.70000
   65    67    70    80.00000  111.29200
   65    76    75    70.00000  110.00000
   67    70    75   120.00000   89.04400
   70    67    68    40.00000  122.38200
   70    75    76    80.00000  114.57700
   70    75    77    70.00000  122.29500
   75    77    78    35.00000  113.50000
   75    77    79    35.00000  113.50000
   76    65    67    70.00000  111.00000
   77    75    76    75.00000  125.31200
   79    77    78    35.00000  109.00000
   66    64    65    65.00000  124.33800
   66    69    71   110.00000  106.71400
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    60.00000  109.50000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    56   0.56750  1.0 1.0
   29    33    57    56  -0.07550 -1.0 2.0
   29    33    57    56   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.06250  1.0 1.0
   33    38    45    50  -0.01100 -1.0 2.0
   33    38    45    50   0.28050  1.0 3.0
   37    33    57    56   0.56750  1.0 1.0
   37    33    57    56  -0.07550 -1.0 2.0
   37    33    57    56   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    54   3.00000 -1.0 2.0
   37    41   -48    54   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    56   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    54    55   0.00000  1.0 1.0
   41    46   -54    48   3.00000 -1.0 2.0
   41    46    54    60   0.00000  1.0 1.0
   41    48    56    57   0.01700  1.0 1.0
   41    48    56    57  -0.23550 -1.0 2.0
   41    48    56    57   0.21350  1.0 3.0
   46    41   -48    54   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    56   0.00000  1.0 1.0
   46    54   -48    41   3.00000 -1.0 2.0
   46    54   -48    49   0.15000  1.0 3.0
   46    54   -48    56   0.00000  1.0 1.0
   46    54    60    61   0.00000  1.0 1.0
   46    54    60    62  -0.42300  1.0 1.0
   46    54    60    62  -0.07000 -1.0 2.0
   46    54    60    62   0.04150  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    48  -0.11250  1.0 1.0
   47    46    54    48   0.11400 -1.0 2.0
   47    46    54    48  -0.28950  1.0 3.0
   47    46    54    60   0.30150 -1.0 2.0
   54    48    56    57   0.25150  1.0 1.0
   54    48    56    57  -1.17200 -1.0 2.0
   54    48    56    57   0.53050  1.0 3.0
   54    60    62    63   3.04450 -1.0 2.0
   54    60    62    64   1.49850  1.0 1.0
   54    60    62    64   1.53950 -1.0 2.0
   55    54   -48    41   0.15000  1.0 3.0
   55    54    48    49   0.15000  1.0 3.0
   55    54    48    56   0.00000  1.0 1.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    54   3.00000 -1.0 2.0
   48    54    60    61   0.00000  1.0 1.0
   48    54    60    62  -0.43950  1.0 1.0
   48    54    60    62  -0.08100 -1.0 2.0
   48    54    60    62   0.03350  1.0 3.0
   48    56   -57    33  -0.25000 -1.0 2.0
   48    56   -57    33  -0.01800  1.0 3.0
   48    56    57    58   0.32350  1.0 3.0
   48    56    57    59   0.32350  1.0 3.0
   49    48    56    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   0.62750  1.0 1.0
   57    33    38    45  -0.30950 -1.0 2.0
   57    33    38    45   0.27300  1.0 3.0
   60    54   -48    41   2.20050  1.0 1.0
   60    54   -48    41   0.63450 -1.0 2.0
   60    54   -48    41  -0.91300  1.0 3.0
   60    54    48    49   0.15000  1.0 3.0
   60    54    48    56   0.00000  1.0 1.0
   60    62    64    65   1.50000 -1.0 2.0
   60    62    64    66   1.50000 -1.0 2.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.56700 -1.0 2.0
   62    64    65    67   0.30050 -1.0 2.0
   62    64    65    67   0.16600  1.0 3.0
   62    64    65    76   0.30050 -1.0 2.0
   62    64    65    76   0.16600  1.0 3.0
   62    64    66    69   6.00000 -1.0 2.0
   63    62    64    65   1.00000 -1.0 2.0
   63    62    64    66   1.00000 -1.0 2.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    70   3.62500 -1.0 2.0
   64    65    76    75   3.62500 -1.0 2.0
   64    66    69    71   1.50000 -1.0 2.0
   65    64    66    69   6.00000 -1.0 2.0
   65    67   -70    75   3.62500 -1.0 2.0
   67    65   -76    75   2.40000 -1.0 2.0
   67    70   -75    76   3.62500 -1.0 2.0
   67    70    75    77   3.62500 -1.0 2.0
   68    67    70    75   3.62500 -1.0 2.0
   70    75   -76    65   3.62500 -1.0 2.0
   70    75    77    78   0.47600 -1.0 2.0
   70    75    77    79   0.47600 -1.0 2.0
   76    65    67    68   3.62500 -1.0 2.0
   76    65   -67    70   3.62500 -1.0 2.0
   76    75    77    78   1.75000 -1.0 2.0
   76    75    77    79   1.75000 -1.0 2.0
   77    75    76    65   3.62500 -1.0 2.0
   66    64    65    67   1.02250 -1.0 2.0
   66    64    65    76   1.02250 -1.0 2.0
   66    69    71    72   0.37500  1.0 3.0
   66    69    71    73   0.37500  1.0 3.0
   66    69    71    74   0.37500  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    56   0.44750  1.0 1.0
   38    33    57    56  -0.17800 -1.0 2.0
   38    33    57    56   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   0.37050  1.0 3.0
   38    45    50    52   0.37050  1.0 3.0
   38    45    50    53   0.37050  1.0 3.0
   39    38    45    50   0.37050  1.0 3.0
   40    38    45    50   0.37050  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    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    54    46    47  10.50000 -1.0 2.0
   61    62    60    54   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   62    65    64    66  10.50000 -1.0 2.0
   67    76    65    64   4.00000 -1.0 2.0
   70    68    67    65   1.10000 -1.0 2.0
   76    77    75    70   4.00000 -1.0 2.0
   79    75    77    78   1.00000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
END
