* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    156    233     429
    1     0 S   NP   _N1_     1    31.07343    97.19244   -12.95435
    2     1 S   H    _HN1     2     1.03467    40.42142   104.63900
    3     1 S   H    _H1_     3     1.02713   129.51479    37.82776
    4     1 S   H    _H2_     4     1.02887   116.95678  -170.77945
    5     1 S   CT   _CA1     5     1.49923    70.81659   -66.41296
    6     5 S   HC   _HA1     6     1.09485   105.40820    60.85924
    7     5 S   CO3  _C1_     7     1.53815   112.52762   -59.82601
    8     7 S   O2Z  _O11     8     1.26396   115.01311   -43.23840
    9     7 S   O2Z  _O12     9     1.26267   115.11111   136.64798
   10     5 S   CT   _CB1    10     1.53039   107.37199   178.53633
   11    10 S   HC   HB11    11     1.09717   109.23782   -52.97051
   12    10 S   HC   HB12    12     1.09774   110.11898    63.23826
   13    10 S   CT   _CG1    13     1.53054   112.96646  -173.73562
   14    13 S   HC   HG11    14     1.09573   111.21997   -64.85499
   15    13 S   HC   HG12    15     1.09616   110.38431    54.31598
   16    13 S   C    _CD1    16     1.51584   111.07381   174.31735
   17    16 S   O    _OE1    17     1.22799   121.62840  -107.87968
   18    16 S   N    _N2_    18     1.38232   112.77276    72.00595
   19    18 S   H    _HN2    19     1.01662   118.87060     1.73664
   20    18 S   CT1  _CA2    20     1.46183   124.15122  -177.61075
   21    20 S   HC   _HA2    21     1.09694   108.98104   -28.76605
   22    20 S   C    _C2_    22     1.52808   106.39809  -145.89228
   23    22 S   O    _O2_    23     1.22999   122.82058   -27.38300
   24    20 S   CT   _CB2    32     1.53562   111.46050    95.31468
   25    24 S   HC   HB21    33     1.09246   108.74749    40.11983
   26    24 S   HC   HB22    34     1.09507   111.17008   158.40707
   27    22 S   N    _N3_    24     1.38454   112.70190   154.86290
   28    27 S   H    _HN3    25     1.01670   120.35572    -0.79081
   29    24 S   S    _SG2    35     1.81580   111.09292   -82.22619
   30    27 S   CT   _CA3    26     1.45355   122.37793   178.82081
   31    30 S   HC   HA31    27     1.09568   107.50267   -62.19944
   32    30 S   HC   HA32    28     1.09569   107.88956    54.08999
   33    29 S   C4T  _C16    36     1.85030   100.81144   149.19143
   34    30 S   CO3  _C3_    29     1.52870   114.44602   176.05166
   35    34 S   O2Z  _O31    30     1.26315   116.10911    -2.22141
   36    34 S   O2Z  _O32    31     1.26450   114.38602   177.86870
   37    33 S   S    _S3_    37     1.87122   111.11990  -163.55144
   38    33 S   S    _S4_    40     1.84586   115.69344   -67.64207
   39    33 S   CM   _C17    78     1.50243   113.66156    69.25177
   40    37 S   C4T  _C15    38     1.81975    81.34724    81.56654
   41    40 S   HC   _H4_    39     1.09490   113.89204   -80.28064
   42    39 S   CMA  _C18    79     1.53803   118.73646    80.34031
   43    42 S   OM   _O36    80     1.26249   120.78807   -73.46438
   44    42 S   OM   _O37    81     1.26358   120.45884   108.48141
   45    39 S   C    _C19    82     1.50567   121.77462   -92.79470
   46    45 S   O    _O38    83     1.22662   123.17204     2.80610
   47    40 S   C    _C14    41     1.55701   112.74098   149.00851
   48    47 S   O    _O35    42     1.23457   125.50957   -54.39372
   49    45 S   N    _N10    84     1.37196   114.77439  -177.30238
   50    49 S   H    _H16    85     1.01582   122.13536     1.36688
   51    49 S   H    _H17    86     1.01245   120.66177  -179.76930
   52    47 S   N    _N9_    43     1.39247   112.38560   125.61224
   53    52 S   H    _H15    44     1.01724   118.27671    -0.41543
   54    52 S   C4T  _C10    45     1.49179   123.42410  -179.58175
   55    54 S   C4   _C9_    46     1.58620   111.79072   -72.31396
   56    55 S   O    _O33    47     1.20889   137.05181    69.16060
   57    54 S   C4T  _C11    55     1.57197   115.08941  -165.70412
   58    57 S   HC   _H3_    56     1.09718   113.61912  -143.54598
   59    54 S   OS   _O34    73     1.45066   115.56979    56.68545
   60    55 S   N4   _N8_    48     1.34893    89.87653  -106.08662
   61    59 S   CT   _C13    74     1.42066   116.47244    61.73876
   62    61 S   HC   _H12    75     1.09302   108.42583   175.00143
   63    61 S   HC   _H13    76     1.09346   110.54735    55.84044
   64    61 S   HC   _H14    77     1.09341   110.31474   -66.07246
   65    60 S   CM   _C8_    49     1.35782   137.46326   171.29550
   66    65 S   CM   _C7_    50     1.35491   121.39929  -165.61400
   67    65 S   CO3  _C20    70     1.54015   118.89922    10.98457
   68    67 S   O2Z  _O40    71     1.26519   114.83136   -89.83575
   69    67 S   O2Z  _O39    72     1.26342   114.95802    89.62917
   70    66 S   CT   _C12    51     1.52556   123.25216     1.47060
   71    70 S   HC   _H10    52     1.09444   110.46258   142.25553
   72    70 S   HC   _H11    53     1.09546   109.41058   -99.51927
   73    66 S   CT   _C6_    57     1.51637   123.02491  -178.34744
   74    73 S   HC   _H8_    58     1.09621   109.70738   142.57881
   75    73 S   HC   _H9_    59     1.09440   111.79884    24.80722
   76    70 S   S    _S2_    54     1.82602   113.94523    23.03030
   77    73 S   S    _S1_    60     1.81683   109.86522   -96.70690
   78    77 S   CRA  _C5_    61     1.72314   101.54384   176.19563
   79    78 S   N5B  _N7_    62     1.31377   128.01313    13.05953
   80    79 S   N5B  _N6_    63     1.37591   105.70822   179.69353
   81    80 S   N5A  _N5_    64     1.32742   111.14013    -0.01978
   82    78 S   NA   _N4_    65     1.36433   123.34844  -167.31956
   83    82 S   CT   _C4_    66     1.43777   130.05048     0.92408
   84    83 S   HC   _H5_    67     1.09267   108.60446    61.84837
   85    83 S   HC   _H6_    68     1.09330   109.54673  -178.48819
   86    83 S   HC   _H7_    69     1.09264   108.74226   -58.84881
  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   7   5   4   3
  12   2   1   1   9   8   9   6   3   5   2   1   4   3   7   3
   2   1   1  10   4  13  10   4  11   5   6   8   3   2   1   1
  12  12   4   1   1   7   3   2   7   3   2   1   6   8   4   3
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    38    39    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    38    47    39    42    43    44    45    46    49  
   35    36  
   36  
    0  
   40    41    38    47    48    52    39    42    45  
   47    48    52    39    42    45    40    41  
   42    43    44    45    46    49    50    51    40  
   41    47    48    52    53    54  
   47    48    52  
   43    44    45    46    49  
   44    45  
   45  
   46    49    50    51  
   49    50    51  
   48    52    53    54    55    57    59  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    60    76    57    58    59    61  
   54    55    57    59  
   55    56    60    65    70    76    57    58    59    61    62    63    64  
   56    60    65    66    76    57    58    67    59    61  
   60    65    57    59  
   58    67    59    61    60    65    66    70    71    72    76  
   59    60    65    70    76  
   61    62    63    64    60    76  
   65    66    70    76    73    67    68    69  
   62    63    64  
   63    64  
   64  
    0  
   66    70    71    72    76    73    74    75    77    67    68    69  
   70    71    72    76    73    74    75    77    78    67    68    69  
   68    69    70    73  
   69  
    0  
   71    72    76    73    74    75    77  
   72    76    73  
   76    73  
   74    75    77    78    79    82    76  
   75    77    78  
   77    78  
    0  
   78    79    80    81    82    83  
   79    80    81    82    83    84    85    86  
   80    81    82    83  
   81    82    83  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.324000   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   0.469500   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   3.6000   0.3550  -0.313000   2.0300   1.8000   0.025682759  -1.666211680
   38   3.6000   0.3550  -0.313000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660   0.253000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   77   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   78   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   80   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   81   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   82   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   83   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   200.000  1.824
   33    37   200.000  1.824
   33    38   200.000  1.824
   33    39   317.000  1.510
   37    40   200.000  1.824
   40    41   340.000  1.090
   40    38   200.000  1.824
   40    47   317.000  1.522
   47    48   570.000  1.229
   47    52   490.000  1.335
   52    53   434.000  1.010
   52    54   337.000  1.449
   54    55   250.000  1.540
   54    57   268.000  1.529
   54    59   320.000  1.410
   55    56   930.000  1.212
   55    60   440.000  1.369
   60    65   400.000  1.384
   60    57   305.000  1.456
   65    66   549.000  1.340
   65    67   230.000  1.545
   66    70   317.000  1.510
   66    73   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   222.000  1.810
   76    57   200.000  1.824
   57    58   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   222.000  1.810
   77    78   245.000  1.755
   78    79   488.000  1.335
   78    82   477.000  1.343
   79    80   290.000  1.379
   80    81   420.000  1.291
   81    82   400.000  1.349
   82    83   320.000  1.443
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   67    68   656.000  1.250
   67    69   656.000  1.250
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    42   465.000  1.376
   39    45   410.000  1.444
   42    43   745.000  1.250
   42    44   745.000  1.250
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
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    85.00000   99.86700
   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  118.28000
   29    33    38    75.00000  118.28000
   29    33    39    75.00000  112.20000
   33    37    40    60.00000   90.00000
   33    38    40    60.00000   90.00000
   33    39    42    70.00000  124.00000
   33    39    45    70.00000  119.70000
   37    40    41    45.00000  109.41400
   37    40    38    65.00000   91.00000
   37    40    47    70.00000  112.33000
   40    47    48    80.00000  120.40000
   40    47    52    70.00000  116.60000
   38    33    37    65.00000   91.00000
   38    40    41    45.00000  109.41400
   47    40    41    35.00000  109.50000
   47    40    38    70.00000  112.33000
   47    52    53    35.00000  119.80000
   47    52    54    50.00000  121.90000
   52    47    48    80.00000  122.90000
   52    54    55    75.00000  110.24000
   52    54    57    80.00000  110.05700
   52    54    59    95.00000  111.00000
   54    52    53    38.00000  118.40000
   54    55    56    60.00000  136.58000
   54    55    60    95.00000   92.72400
   54    57    60   105.00000   87.49700
   54    57    76    65.00000  119.05700
   54    57    58    37.50000  110.70000
   54    59    61    60.00000  109.50000
   55    60    65    50.00000  132.10000
   55    60    57   100.00000   93.00000
   60    55    56    75.00000  131.60000
   60    65    66    75.00000  120.83300
   60    65    67    80.00000  114.48000
   60    57    76    80.00000  108.62000
   60    57    58    50.00000  112.01000
   65    66    70    70.00000  124.00000
   65    66    73    70.00000  124.00000
   65    67    68    85.00000  113.83300
   65    67    69    85.00000  113.83300
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    76    75.00000  112.20000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    77    75.00000  112.20000
   70    76    57    85.00000   99.86700
   72    70    71    33.00000  107.80000
   76    70    71    35.00000  109.50000
   76    70    72    35.00000  109.50000
   76    57    58    45.00000  109.41400
   57    54    55   100.00000   86.36000
   57    60    65    50.00000  132.70000
   73    66    70    65.00000  117.92700
   73    77    78    85.00000   97.05500
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   77    78    79    70.00000  126.12900
   77    78    82    70.00000  123.45500
   78    79    80   100.00000  108.10500
   78    82    81    95.00000  110.06400
   78    82    83    60.00000  127.66100
   79    80    81   100.00000  111.97400
   80    81    82   110.00000  106.81600
   81    82    83    75.00000  118.68000
   82    78    79    70.00000  120.00000
   82    83    84    50.00000  108.61900
   82    83    85    50.00000  108.61900
   82    83    86    50.00000  108.61900
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   67    65    66    55.00000  124.75400
   69    67    68    80.00000  126.00000
   59    54    55    90.00000  108.55600
   59    54    57    50.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    75.00000  112.20000
   39    33    38    75.00000  112.20000
   39    42    43    65.00000  137.10300
   39    42    44    65.00000  137.10300
   39    45    46    80.00000  125.30000
   39    45    49    80.00000  111.56200
   44    42    43    65.00000  121.00000
   45    39    42    60.00000  120.04000
   45    49    50    35.00000  119.80000
   45    49    51    35.00000  119.80000
   49    45    46    80.00000  122.90000
   51    49    50    35.00000  120.00000
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  -0.25000 -1.0 2.0
   20    24    29    33  -0.01800  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   0.08500  1.0 1.0
   24    29    33    37  -0.53150 -1.0 2.0
   24    29    33    37   0.48050  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.08500  1.0 1.0
   29    33    37    40  -0.53150 -1.0 2.0
   29    33    37    40   0.48050  1.0 3.0
   29    33   -38    40   0.08500  1.0 1.0
   29    33   -38    40  -0.53150 -1.0 2.0
   29    33   -38    40   0.48050  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    45   0.09700  1.0 1.0
   29    33    39    45   0.15600 -1.0 2.0
   29    33    39    45  -0.50800  1.0 3.0
   33    37    40    41   0.00000  1.0 1.0
   33    37   -40    38   0.00000  1.0 1.0
   33    37    40    47   0.01700  1.0 1.0
   33    37    40    47  -0.23550 -1.0 2.0
   33    37    40    47   0.21350  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    44   7.00000 -1.0 2.0
   33    39    45    46  -0.64400  1.0 1.0
   33    39    45    46   0.26850 -1.0 2.0
   33    39    45    49   1.59650  1.0 1.0
   33    39    45    49   0.42750 -1.0 2.0
   33    39    45    49  -0.48350  1.0 3.0
   37    33   -38    40   0.00000  1.0 1.0
   37    33    39    42   0.42700  1.0 1.0
   37    33    39    42  -0.70350 -1.0 2.0
   37    33    39    42  -0.43150  1.0 3.0
   37    33    39    45   0.09700  1.0 1.0
   37    33    39    45   0.15600 -1.0 2.0
   37    33    39    45  -0.50800  1.0 3.0
   37    40   -38    33   0.00000  1.0 1.0
   37    40    47    48   0.30150 -1.0 2.0
   37    40    47    52   0.00000  1.0 1.0
   40    47    52    53   2.45000 -1.0 2.0
   40    47    52    54   1.49850  1.0 1.0
   40    47    52    54   1.53950 -1.0 2.0
   41    40   -38    33   0.00000  1.0 1.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    52   0.00000  1.0 1.0
   38    33   -37    40   0.00000  1.0 1.0
   38    33    39    42   0.42700  1.0 1.0
   38    33    39    42  -0.70350 -1.0 2.0
   38    33    39    42  -0.43150  1.0 3.0
   38    33    39    45   0.09700  1.0 1.0
   38    33    39    45   0.15600 -1.0 2.0
   38    33    39    45  -0.50800  1.0 3.0
   38    40    47    48   0.30150 -1.0 2.0
   38    40    47    52   0.00000  1.0 1.0
   47    40   -38    33   0.01700  1.0 1.0
   47    40   -38    33  -0.23550 -1.0 2.0
   47    40   -38    33   0.21350  1.0 3.0
   47    52    54    55  -0.42300  1.0 1.0
   47    52    54    55  -0.07000 -1.0 2.0
   47    52    54    55   0.04150  1.0 3.0
   47    52    54    57  -0.43950  1.0 1.0
   47    52    54    57  -0.08100 -1.0 2.0
   47    52    54    57   0.03350  1.0 3.0
   47    52    54    59  -2.75650  1.0 1.0
   47    52    54    59  -1.18150 -1.0 2.0
   47    52    54    59   0.81900  1.0 3.0
   48    47    52    53   2.45000 -1.0 2.0
   48    47    52    54   3.04450 -1.0 2.0
   52    54    55    56   0.30150 -1.0 2.0
   52    54    55    60   0.00000  1.0 1.0
   52    54   -57    60   2.20050  1.0 1.0
   52    54   -57    60   0.63450 -1.0 2.0
   52    54   -57    60  -0.91300  1.0 3.0
   52    54    57    76   0.00000  1.0 1.0
   52    54    57    58   0.15000  1.0 3.0
   52    54    59    61  -2.37750  1.0 1.0
   52    54    59    61  -0.08150 -1.0 2.0
   52    54    59    61   0.59000  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    57   0.00000  1.0 1.0
   53    52    54    59   0.00000  1.0 1.0
   54    55    60    65   3.00000 -1.0 2.0
   54    55   -60    57   3.00000 -1.0 2.0
   54    59    61    62   0.37050  1.0 3.0
   54    59    61    63   0.37050  1.0 3.0
   54    59    61    64   0.37050  1.0 3.0
   55    54   -57    60   3.00000 -1.0 2.0
   55    54    57    76   0.00000  1.0 1.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    59    61  -1.11000  1.0 1.0
   55    54    59    61   0.50250 -1.0 2.0
   55    54    59    61   0.47450  1.0 3.0
   55    60    65    66   0.00000  1.0 1.0
   55    60    65    67   0.00000  1.0 1.0
   55    60   -57    54   0.00000  1.0 1.0
   55    60   -57    76   0.00000  1.0 1.0
   55    60   -57    58   0.00000  1.0 1.0
   56    55    60    65   3.00000 -1.0 2.0
   56    55    60    57   3.00000 -1.0 2.0
   60    65    66    70   7.00000 -1.0 2.0
   60    65    66    73   7.00000 -1.0 2.0
   60    65    67    68   1.91650 -1.0 2.0
   60    65    67    69   1.91650 -1.0 2.0
   65    60   -57    54   0.00000  1.0 1.0
   65    60    57    76   0.00000  1.0 1.0
   65    60    57    58   0.00000  1.0 1.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66   -70    76   0.42700  1.0 1.0
   65    66   -70    76  -0.70350 -1.0 2.0
   65    66   -70    76  -0.43150  1.0 3.0
   65    66    73    74   0.00000  1.0 1.0
   65    66    73    75   0.00000  1.0 1.0
   65    66    73    77   0.42700  1.0 1.0
   65    66    73    77  -0.70350 -1.0 2.0
   65    66    73    77  -0.43150  1.0 3.0
   66    65    67    68  -0.04000 -1.0 2.0
   66    65    67    68  -0.29050  1.0 3.0
   66    65    67    69  -0.04000 -1.0 2.0
   66    65    67    69  -0.29050  1.0 3.0
   66    70    76    57  -0.70200  1.0 1.0
   66    70    76    57  -0.14350 -1.0 2.0
   66    70    76    57   0.55200  1.0 3.0
   66    73    77    78   0.00000  1.0 1.0
   70    66    73    74   0.34800  1.0 3.0
   70    66    73    75   0.34800  1.0 3.0
   70    66    73    77   0.30250  1.0 1.0
   70    66    73    77  -0.14950 -1.0 2.0
   70    66    73    77   0.36900  1.0 3.0
   70    76    57    54   0.25150  1.0 1.0
   70    76    57    54  -1.17200 -1.0 2.0
   70    76    57    54   0.53050  1.0 3.0
   70    76   -57    60   0.01700  1.0 1.0
   70    76   -57    60  -0.23550 -1.0 2.0
   70    76   -57    60   0.21350  1.0 3.0
   70    76    57    58   0.00000  1.0 1.0
   71    70    76    57   0.32350  1.0 3.0
   72    70    76    57   0.32350  1.0 3.0
   57    54   -55    56  -0.11250  1.0 1.0
   57    54   -55    56   0.11400 -1.0 2.0
   57    54   -55    56  -0.28950  1.0 3.0
   57    54   -55    60   3.00000 -1.0 2.0
   57    54    59    61   0.06250  1.0 1.0
   57    54    59    61  -0.01100 -1.0 2.0
   57    54    59    61   0.28050  1.0 3.0
   57    60   -65    66   0.00000  1.0 1.0
   57    60    65    67   0.00000  1.0 1.0
   73    66    70    71   0.34800  1.0 3.0
   73    66    70    72   0.34800  1.0 3.0
   73    66    70    76   0.30250  1.0 1.0
   73    66    70    76  -0.14950 -1.0 2.0
   73    66    70    76   0.36900  1.0 3.0
   73    77    78    79   0.63150 -1.0 2.0
   73    77    78    82   0.63150 -1.0 2.0
   74    73    77    78   0.24000  1.0 3.0
   75    73    77    78   0.24000  1.0 3.0
   77    78    79    80   3.62500 -1.0 2.0
   77    78    82    81   3.62500 -1.0 2.0
   77    78    82    83   3.62500 -1.0 2.0
   78    79   -80    81   3.62500 -1.0 2.0
   78    82    83    84   0.00000  1.0 1.0
   78    82    83    85   0.00000  1.0 1.0
   78    82    83    86   0.00000  1.0 1.0
   79    78   -82    81   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   79    80   -81    82   3.62500 -1.0 2.0
   80    81   -82    78   3.62500 -1.0 2.0
   80    81    82    83   3.62500 -1.0 2.0
   81    82    83    84   0.00000  1.0 1.0
   81    82    83    85   0.00000  1.0 1.0
   81    82    83    86   0.00000  1.0 1.0
   82    78   -79    80   3.62500 -1.0 2.0
   67    65    66    70   7.00000 -1.0 2.0
   67    65    66    73   7.00000 -1.0 2.0
   59    54    55    56   0.30150 -1.0 2.0
   59    54    55    60   0.00000  1.0 1.0
   59    54   -57    60   1.12100  1.0 1.0
   59    54   -57    60  -0.16500 -1.0 2.0
   59    54    57    76   0.00000  1.0 1.0
   59    54    57    58   0.15000  1.0 3.0
   39    33    37    40  -0.70200  1.0 1.0
   39    33    37    40  -0.14350 -1.0 2.0
   39    33    37    40   0.55200  1.0 3.0
   39    33   -38    40  -0.70200  1.0 1.0
   39    33   -38    40  -0.14350 -1.0 2.0
   39    33   -38    40   0.55200  1.0 3.0
   39    45    49    50   2.56700 -1.0 2.0
   39    45    49    51   2.56700 -1.0 2.0
   42    39    45    46   1.00000 -1.0 2.0
   42    39    45    49   0.49500  1.0 1.0
   42    39    45    49   1.31600 -1.0 2.0
   42    39    45    49  -0.02300  1.0 3.0
   45    39    42    43   7.00000 -1.0 2.0
   45    39    42    44   7.00000 -1.0 2.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    51   2.45000 -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
   40    52    47    48  10.50000 -1.0 2.0
   53    47    52    54   1.00000 -1.0 2.0
   54    60    55    56  10.50000 -1.0 2.0
   57    55    60    65   1.00000 -1.0 2.0
   60    67    65    66   1.10000 -1.0 2.0
   70    73    66    65   1.10000 -1.0 2.0
   79    82    78    77   4.00000 -1.0 2.0
   81    83    82    78   4.00000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
   33    45    39    42  15.00000 -1.0 2.0
   43    44    42    39  15.00000 -1.0 2.0
   39    49    45    46  10.50000 -1.0 2.0
   51    45    49    50   1.00000 -1.0 2.0
END
