* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    115    176     338
    1     0 S   NP   _N1_     1    28.93981    97.61733   -22.92226
    2     1 S   H    _HN1     2     1.02947    62.83499     8.38902
    3     1 S   H    _H1_     3     1.02826    48.06691   163.23908
    4     1 S   H    _H2_     4     1.02797   104.13956   -95.26029
    5     1 S   CT   _CA1     5     1.50129   142.92377    96.75250
    6     5 S   HC   _HA1     6     1.09571   105.17204   106.08164
    7     5 S   CO3  _C1_     7     1.53769   112.44605   -14.17325
    8     7 S   O2Z  _O11     8     1.26377   115.00579   -42.66774
    9     7 S   O2Z  _O12     9     1.26228   114.95353   136.35421
   10     5 S   CT   _CB1    10     1.53056   107.40510  -135.90824
   11    10 S   HC   HB11    11     1.09844   109.37262   -48.98054
   12    10 S   HC   HB12    12     1.09811   110.45431    67.61450
   13    10 S   CT   _CG1    13     1.53035   112.65221  -169.88666
   14    13 S   HC   HG11    14     1.09565   110.76838   -66.93720
   15    13 S   HC   HG12    15     1.09665   109.68109    52.32626
   16    13 S   C    _CD1    16     1.51814   111.89665   172.87776
   17    16 S   O    _OE1    17     1.22768   123.10631    13.74933
   18    16 S   N    _N2_    18     1.38621   111.89062  -166.29300
   19    18 S   H    _HN2    19     1.01592   119.11004     1.22908
   20    18 S   CT1  _CA2    20     1.46307   123.43272   176.98864
   21    20 S   HC   _HA2    21     1.09751   109.16091     9.18305
   22    20 S   C    _C2_    22     1.53771   109.13951  -106.18057
   23    22 S   O    _O2_    23     1.23079   122.28949  -151.15518
   24    20 S   CT   _CB2    32     1.53496   111.50396   130.99598
   25    24 S   HC   HB21    33     1.09453   109.36956    55.49680
   26    24 S   HC   HB22    34     1.09346   109.83096   174.46250
   27    22 S   N    _N3_    24     1.38348   113.96132    36.67195
   28    27 S   H    _HN3    25     1.01511   119.61952    -3.89626
   29    24 S   S    _SG2    35     1.83236   110.88273   -65.01451
   30    27 S   CT   _CA3    26     1.45271   123.26857   176.97897
   31    30 S   HC   HA31    27     1.09551   107.60190   -61.97893
   32    30 S   HC   HA32    28     1.09554   107.89274    54.46058
   33    29 S   CT   _C18    36     1.88663   101.84503  -173.38200
   34    30 S   CO3  _C3_    29     1.52972   114.05061   176.33660
   35    34 S   O2Z  _O31    30     1.26389   116.09653    -1.90926
   36    34 S   O2Z  _O32    31     1.26432   114.42267   178.10700
   37    33 S   CM   _C10    37     1.52406   107.73743   -57.24171
   38    37 S   HC   _H29    38     1.09295   112.95822   -73.27783
   39    33 S   CM   _C11    59     1.51824   109.70781    70.80182
   40    39 S   HC   _H30    60     1.08969   115.61676   -15.55096
   41    33 S   CO3  _C16    67     1.56998    98.42841  -174.45613
   42    41 S   O2Z  _O19    68     1.26776   116.81130    96.48479
   43    41 S   O2Z  _O22    69     1.27034   116.16395   -81.81710
   44    37 S   CMA  _C12    39     1.36080   130.17091   106.64816
   45    44 S   OM   _O16    40     1.26454   131.01930    -2.56124
   46    39 S   CM   _C14    61     1.34386   129.83885   162.74908
   47    44 S   CA   _C7_    41     1.49942   110.13353   177.15944
   48    46 S   CO3  _C15    62     1.55705   127.60445     2.11443
   49    48 S   O2Z  _O18    63     1.26969   113.53896  -157.42938
   50    48 S   O2Z  _O21    64     1.26036   117.45428    24.86760
   51    46 S   OH   _O24    65     1.39270   118.18715  -177.14968
   52    51 S   HO   _H35    66     0.97539   105.90019   175.01080
   53    47 S   CA   _C4_    42     1.40699   118.88723    94.16646
   54    53 S   HA   _H27    43     1.08902   118.84344    -0.03426
   55    53 S   CA   _C6_    44     1.40395   121.33750   179.86583
   56    55 S   CA   _C5_    45     1.40668   118.50973    -0.14804
   57    56 S   HA   _H28    46     1.08629   118.33244  -179.95577
   58    55 S   CO3  _C13    56     1.51078   120.78176   179.86294
   59    58 S   O2Z  _O17    57     1.27102   117.42153    -3.38177
   60    58 S   O2Z  _O20    58     1.27147   117.29932   176.67516
   61    56 S   CA   _C8_    47     1.40092   121.30564     0.17132
   62    47 S   CA   _C9_    48     1.40682   122.32623   -85.88216
   63    61 S   OS   _O25    51     1.37263   124.86486   179.91607
   64    62 S   OH   _O23    49     1.37460   121.55387     0.36584
   65    64 S   HO   _H34    50     0.97548   109.55405     4.72244
   66    63 S   CT   _C17    52     1.42179   117.28851     0.05935
   67    66 S   HC   _H31    53     1.09432   107.73322   179.95577
   68    66 S   HC   _H32    54     1.09497   111.16501    62.27377
   69    66 S   HC   _H33    55     1.09497   111.16144   -62.35870
  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  10   5   4   3
  13   2   1   1  12   5  11   4   4   1   1   8   3   5  10   4
   2   1   1   1  10   4   8   9   4   3   1   1   8   4   5   1
   1   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    44    39    40    46    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    47    39    40    46    48    51    41    42    43  
   35    36  
   36  
    0  
   38    44    45    47    53    62    39    40    46    41    42    43  
   44    45    47    39    41  
   40    46    48    49    50    51    52    41    42    43    44  
   46    48    51    41  
   42    43    44    46  
   43  
    0  
   45    47    53    54    55    61    62    64  
   47    53    62  
   48    49    50    51    52  
   53    54    55    56    61    62    64    65    63    58  
   49    50    51    52  
   50    51  
   51  
   52  
    0  
   54    55    56    57    61    62    64    58    59    60  
   55    56    62    58  
   56    57    61    62    63    58    59    60  
   57    61    62    64    63    66    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    64    65    63    66    67    68    69  
   64    65    63    66  
   66    67    68    69    64  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   0.067500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   317.000  1.510
   33    41   317.000  1.522
   37    38   340.000  1.080
   37    44   465.000  1.376
   44    45   745.000  1.250
   44    47   320.000  1.460
   47    53   469.000  1.400
   47    62   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   55    58   400.000  1.490
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   450.000  1.364
   64    65   553.000  0.945
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   58    59   656.000  1.250
   58    60   656.000  1.250
   39    40   340.000  1.080
   39    46   549.000  1.340
   46    48   230.000  1.545
   46    51   510.000  1.338
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
   41    42   656.000  1.250
   41    43   656.000  1.250
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    39    75.00000  112.20000
   29    33    41    70.00000  116.78000
   33    37    38    35.00000  117.00000
   33    37    44    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    46    70.00000  124.00000
   33    41    42    70.00000  117.00000
   33    41    43    70.00000  117.00000
   37    44    45    65.00000  137.10300
   37    44    47    60.00000  123.20500
   44    37    38    40.00000  120.50800
   44    47    53    60.00000  120.93500
   44    47    62    60.00000  120.93500
   47    44    45    85.00000  114.86500
   47    53    54    35.00000  120.00000
   47    53    55    63.00000  120.00000
   47    62    61    63.00000  120.00000
   47    62    64    70.00000  120.00000
   53    55    56    63.00000  120.00000
   53    55    58    85.00000  120.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    61    63.00000  120.00000
   55    58    59    80.00000  120.40000
   55    58    60    80.00000  120.40000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    70.00000  120.00000
   61    63    66    75.00000  111.00000
   62    47    53    63.00000  120.00000
   62    64    65    35.00000  113.00000
   63    61    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   58    55    56    85.00000  120.00000
   60    58    59    80.00000  126.00000
   39    33    37    70.00000  110.12100
   39    46    48    55.00000  124.75400
   39    46    51    80.00000  121.38400
   46    39    40    35.00000  120.00000
   46    48    49    85.00000  113.83300
   46    48    50    85.00000  113.83300
   46    51    52    70.00000  107.45700
   50    48    49    80.00000  126.00000
   51    46    48    80.00000  119.00000
   41    33    37    65.00000  111.94000
   41    33    39    65.00000  111.94000
   43    41    42    80.00000  126.00000
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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.00000  1.0 1.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    46   0.42700  1.0 1.0
   29    33    39    46  -0.70350 -1.0 2.0
   29    33    39    46  -0.43150  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    43   0.30150 -1.0 2.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    47   7.00000 -1.0 2.0
   33    39    46    48   7.00000 -1.0 2.0
   33    39    46    51   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    46  -0.28300  1.0 1.0
   37    33    39    46   0.26700 -1.0 2.0
   37    33    39    46  -0.63300  1.0 3.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    43   0.30150 -1.0 2.0
   37    44    47    53   0.15800  1.0 1.0
   37    44    47    53   1.85350 -1.0 2.0
   37    44    47    53  -0.48700  1.0 3.0
   37    44    47    62   0.15800  1.0 1.0
   37    44    47    62   1.85350 -1.0 2.0
   37    44    47    62  -0.48700  1.0 3.0
   38    37    44    45   7.00000 -1.0 2.0
   38    37    44    47   7.00000 -1.0 2.0
   44    47    53    54   3.62500 -1.0 2.0
   44    47    53    55   3.62500 -1.0 2.0
   44    47    62    61   3.62500 -1.0 2.0
   44    47    62    64   3.62500 -1.0 2.0
   45    44    47    53  -0.01750  1.0 1.0
   45    44    47    53  -0.32000 -1.0 2.0
   45    44    47    53   0.00600  1.0 3.0
   45    44    47    62  -0.01750  1.0 1.0
   45    44    47    62  -0.32000 -1.0 2.0
   45    44    47    62   0.00600  1.0 3.0
   47    53    55    56   3.62500 -1.0 2.0
   47    53    55    58   3.62500 -1.0 2.0
   47    62    64    65   0.84100 -1.0 2.0
   53    47    62    61   3.62500 -1.0 2.0
   53    47    62    64   3.62500 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55   -56    61   3.62500 -1.0 2.0
   53    55    58    59   1.05000 -1.0 2.0
   53    55    58    60   1.05000 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   55    56    61    62   3.62500 -1.0 2.0
   55    56    61    63   3.62500 -1.0 2.0
   56    55    58    59   1.05000 -1.0 2.0
   56    55    58    60   1.05000 -1.0 2.0
   56    61   -62    47   3.62500 -1.0 2.0
   56    61    62    64   3.62500 -1.0 2.0
   56    61    63    66   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   0.84100 -1.0 2.0
   61    63    66    67   0.08050  1.0 3.0
   61    63    66    68   0.08050  1.0 3.0
   61    63    66    69   0.08050  1.0 3.0
   62    47    53    54   3.62500 -1.0 2.0
   62    47   -53    55   3.62500 -1.0 2.0
   62    61    63    66   1.63200 -1.0 2.0
   63    61    62    47   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    44  -0.28300  1.0 1.0
   39    33    37    44   0.26700 -1.0 2.0
   39    33    37    44  -0.63300  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    43   0.30150 -1.0 2.0
   39    46    48    49  -0.04000 -1.0 2.0
   39    46    48    49  -0.29050  1.0 3.0
   39    46    48    50  -0.04000 -1.0 2.0
   39    46    48    50  -0.29050  1.0 3.0
   39    46    51    52  -0.66100  1.0 1.0
   39    46    51    52   1.20850 -1.0 2.0
   39    46    51    52  -0.36000  1.0 3.0
   40    39    46    48   7.00000 -1.0 2.0
   40    39    46    51   7.00000 -1.0 2.0
   48    46    51    52   2.00000 -1.0 2.0
   51    46    48    49   1.68800 -1.0 2.0
   51    46    48    50   1.68800 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    44  -0.51250  1.0 1.0
   41    33    37    44  -0.88800 -1.0 2.0
   41    33    37    44   0.08850  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    46  -0.51250  1.0 1.0
   41    33    39    46  -0.88800 -1.0 2.0
   41    33    39    46   0.08850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    44  15.00000 -1.0 2.0
   47    45    44    37  15.00000 -1.0 2.0
   53    62    47    44   4.00000 -1.0 2.0
   55    54    53    47   1.10000 -1.0 2.0
   56    58    55    53   4.00000 -1.0 2.0
   61    57    56    55   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   61    64    62    47   4.00000 -1.0 2.0
   59    55    58    60  10.50000 -1.0 2.0
   33    40    39    46  15.00000 -1.0 2.0
   48    51    46    39  15.00000 -1.0 2.0
   49    46    48    50  10.50000 -1.0 2.0
   42    33    41    43  10.50000 -1.0 2.0
END
