* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    108    171     318
    1     0 S   NP   _N1_     1    28.90840    93.52357   -21.59489
    2     1 S   H    _HN1     2     1.02836    23.46489   164.20576
    3     1 S   H    _H1_     3     1.02777    96.04726   -73.66361
    4     1 S   H    _H2_     4     1.02964    92.61283    35.09082
    5     1 S   CT   _CA1     5     1.50125   134.06840   157.07588
    6     5 S   HC   _HA1     6     1.09576   105.22614    62.16717
    7     5 S   CO3  _C1_     7     1.53777   112.39625   -58.01012
    8     7 S   O2Z  _O11     8     1.26353   114.99905   -43.72238
    9     7 S   O2Z  _O12     9     1.26241   114.91724   135.46491
   10     5 S   CT   _CB1    10     1.53100   107.42664  -179.95577
   11    10 S   HC   HB11    11     1.09824   109.27248   -51.17075
   12    10 S   HC   HB12    12     1.09826   110.44156    65.35431
   13    10 S   CT   _CG1    13     1.53022   112.70151  -172.31211
   14    13 S   HC   HG11    14     1.09597   110.39690   -64.28229
   15    13 S   HC   HG12    15     1.09652   110.02753    54.94987
   16    13 S   C    _CD1    16     1.51808   112.30870   175.22771
   17    16 S   O    _OE1    17     1.22775   123.23244    -3.41707
   18    16 S   N    _N2_    18     1.38721   111.65835   176.79283
   19    18 S   H    _HN2    19     1.01599   119.09071    -0.40926
   20    18 S   CT1  _CA2    20     1.46109   123.20825  -179.85735
   21    20 S   HC   _HA2    21     1.09559   108.90021   -17.72748
   22    20 S   C    _C2_    22     1.53440   108.66754  -132.67405
   23    22 S   O    _O2_    23     1.23016   122.17922  -148.05530
   24    20 S   CT   _CB2    32     1.53547   112.07520   104.80339
   25    24 S   HC   HB21    33     1.09655   109.48514    62.34373
   26    24 S   HC   HB22    34     1.09574   110.92573   179.64447
   27    22 S   N    _N3_    24     1.38500   113.36889    39.57697
   28    27 S   H    _HN3    25     1.01527   118.90705    -0.82234
   29    24 S   S    _SG2    35     1.82756   114.75530   -57.34902
   30    27 S   CT   _CA3    26     1.45448   123.45804   174.49662
   31    30 S   HC   HA31    27     1.09521   109.22400    24.64419
   32    30 S   HC   HA32    28     1.09493   107.12999   141.70874
   33    29 S   CT   _C14    36     1.82701    99.91359   -70.54244
   34    33 S   HC   _H11    37     1.09308   108.26319    50.31126
   35    33 S   HC   _H12    38     1.09418   108.52968   -66.43091
   36    30 S   CO3  _C3_    29     1.52947   113.12373   -98.78066
   37    36 S   O2Z  _O31    30     1.26404   115.44835   -42.27244
   38    36 S   O2Z  _O32    31     1.26357   114.94503   138.62046
   39    33 S   CT   _C13    39     1.53864   113.25749   170.15490
   40    39 S   HC   _H4_    40     1.09753   108.02795  -177.94519
   41    39 S   CT   _C12    41     1.54480   116.06348    59.38839
   42    41 S   HC   _H3_    42     1.09504   109.39922   -69.94530
   43    39 S   OH   _O33    60     1.43490   109.32633   -63.51723
   44    43 S   HO   _H13    61     0.97323   108.04788   -46.11911
   45    41 S   C5B  _C10    43     1.50097   113.63820    53.50052
   46    41 S   OH   _O34    58     1.43617   108.77423   176.41701
   47    46 S   HO   _H14    59     0.97193   107.86207   -56.86990
   48    45 S   C5A  _C11    44     1.38296   126.46535    62.17647
   49    48 S   HA   _H9_    45     1.08137   131.14656     0.07402
   50    48 S   NA   _N4_    46     1.36738   108.59504  -179.72446
   51    50 S   H    _H10    47     1.01063   125.00520   179.89532
   52    50 S   C56A _C7_    48     1.37428   110.21658    -0.16551
   53    52 S   CA   _C6_    49     1.39992   129.98499   179.96044
   54    53 S   HA   _H7_    50     1.08499   121.44221    -0.07913
   55    53 S   CA   _C5_    51     1.39713   117.66550   179.90309
   56    55 S   HA   _H6_    52     1.08709   119.45025   180.00000
   57    55 S   CA   _C4_    53     1.39225   120.94110    -0.05935
   58    57 S   HA   _H5_    54     1.08683   119.76155  -179.96044
   59    57 S   CA   _C9_    55     1.39963   120.70920     0.02798
   60    59 S   HA   _H8_    56     1.08630   119.62079  -179.97202
   61    45 S   C56B _C8_    57     1.43518   126.97231  -117.92307
  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
  10   5   4   2   1   1  10   6  12   6   3   1  12   3   1   7
   4   7   3   8   7   4   6   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    46    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    48    61    46    47    43    44  
   41    42    45    46    43    44  
   42    45    48    49    50    52    59    61    46    47    43    44  
   45    48    61    46    47    43  
   44    45    46  
    0  
   48    49    50    51    52    53    57    59    60    61    46    47  
   47    48    61  
    0  
   49    50    51    52    53    59    61  
   50    51    52    61  
   51    52    53    54    55    59    61  
   52    53    61  
   53    54    55    56    57    59    60    61  
   54    55    56    57    58    59    61  
   55    56    57    61  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.260900   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   50   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   51   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   295.000  1.494
   41    46   320.000  1.410
   45    48   520.000  1.370
   45    61   380.000  1.440
   48    49   367.000  1.080
   48    50   427.000  1.381
   50    51   434.000  1.010
   50    52   428.000  1.380
   52    53   469.000  1.400
   52    61   447.000  1.419
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.404
   46    47   553.000  0.945
   43    44   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    70.00000  112.62400
   39    41    46    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    48    55.00000  127.77900
   41    45    61    55.00000  128.73000
   41    46    47    55.00000  108.50000
   45    41    42    45.00000  111.11700
   45    48    49    35.00000  130.70000
   45    48    50    70.00000  106.30000
   45    61    52    80.00000  107.43600
   45    61    59    50.00000  134.85500
   48    50    51    35.00000  120.00000
   48    50    52    90.00000  107.14200
   50    48    49    35.00000  121.60000
   50    52    53    70.00000  132.80000
   50    52    61    70.00000  104.40000
   52    50    51    35.00000  123.10000
   52    53    54    35.00000  120.00000
   52    53    55    85.00000  120.00000
   52    61    59    85.00000  116.20000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   61    45    48    80.00000  105.82900
   61    52    53    85.00000  122.70000
   61    59    60    35.00000  120.00000
   46    41    42    35.00000  109.50000
   46    41    45    95.00000  106.36000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45  -0.03700  1.0 1.0
   33    39    41    45   0.37200 -1.0 2.0
   33    39    41    45  -0.47300  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    48   0.04150 -1.0 2.0
   39    41    45    61   0.04150 -1.0 2.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.43200  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45    48    50   3.62500 -1.0 2.0
   41    45    61    52   3.62500 -1.0 2.0
   41    45    61    59   3.62500 -1.0 2.0
   42    41    45    48   0.00000  1.0 1.0
   42    41    45    61   0.00000  1.0 1.0
   42    41    46    47   0.19450  1.0 3.0
   45    41    46    47   0.31900  1.0 1.0
   45    41    46    47  -0.11800 -1.0 2.0
   45    41    46    47   0.38750  1.0 3.0
   45    48    50    51   1.40000 -1.0 2.0
   45    48   -50    52   3.62500 -1.0 2.0
   48    45   -61    52   3.50000 -1.0 2.0
   48    45    61    59   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50   -52    61   3.62500 -1.0 2.0
   49    48    50    51   2.00000 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    55   3.62500 -1.0 2.0
   50    52   -61    45   3.00000 -1.0 2.0
   50    52    61    59   3.00000 -1.0 2.0
   51    50    52    53   1.52500 -1.0 2.0
   51    50    52    61   1.52500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    57   3.62500 -1.0 2.0
   53    52    61    45   3.00000 -1.0 2.0
   53    52    61    59   3.00000 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55   -57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    61    45   3.62500 -1.0 2.0
   57    59   -61    52   3.50000 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   60    59    61    45   3.62500 -1.0 2.0
   60    59    61    52   3.50000 -1.0 2.0
   61    45    48    49   3.62500 -1.0 2.0
   61    45   -48    50   3.62500 -1.0 2.0
   61    52    53    54   3.62500 -1.0 2.0
   61    52   -53    55   3.62500 -1.0 2.0
   46    41    45    48   0.14300 -1.0 2.0
   46    41    45    48   0.00300  1.0 3.0
   46    41    45    61   0.14300 -1.0 2.0
   46    41    45    61   0.00300  1.0 3.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   1.13150  1.0 1.0
   43    39    41    45  -1.01400 -1.0 2.0
   43    39    41    46   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   48    61    45    41   4.00000 -1.0 2.0
   50    49    48    45   1.10000 -1.0 2.0
   51    48    50    52   1.00000 -1.0 2.0
   53    61    52    50   4.00000 -1.0 2.0
   55    54    53    52   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   52    59    61    45   4.00000 -1.0 2.0
END
