* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    120    184     346
    1     0 S   NP   _N1_     1    29.66463    90.98995   -19.03579
    2     1 S   H    _HN1     2     1.02816    40.05169    84.34608
    3     1 S   H    _H1_     3     1.02731    74.82835   -60.82850
    4     1 S   H    _H2_     4     1.04026   138.58133    35.87971
    5     1 S   CT   _CA1     5     1.50241   104.74945  -170.34842
    6     5 S   HC   _HA1     6     1.09679   104.54280    30.58908
    7     5 S   CO3  _C1_     7     1.54480   111.54512   -85.05564
    8     7 S   O2Z  _O11     8     1.26093   116.83356  -125.63951
    9     7 S   O2Z  _O12     9     1.26651   113.80965    54.41654
   10     5 S   CT   _CB1    10     1.52967   107.10250   146.92056
   11    10 S   HC   HB11    11     1.09826   110.21612   -39.04300
   12    10 S   HC   HB12    12     1.09731   109.80348    77.34865
   13    10 S   CT   _CG1    13     1.53034   112.83231  -159.56691
   14    13 S   HC   HG11    14     1.09473   111.89165   -52.28431
   15    13 S   HC   HG12    15     1.09596   110.56070    66.82888
   16    13 S   C    _CD1    16     1.51379   109.55020  -173.72308
   17    16 S   O    _OE1    17     1.22844   121.87244   -91.03915
   18    16 S   N    _N2_    18     1.38357   112.81163    86.68571
   19    18 S   H    _HN2    19     1.01618   119.17448     5.84754
   20    18 S   CT1  _CA2    20     1.45730   122.80694  -175.50717
   21    20 S   HC   _HA2    21     1.09607   108.17404    28.59406
   22    20 S   C    _C2_    22     1.52893   107.94556   -88.24742
   23    22 S   O    _O2_    23     1.22930   123.18332   -24.94065
   24    20 S   CT   _CB2    32     1.53408   112.33125   151.37990
   25    24 S   HC   HB21    33     1.09658   109.65506    65.20011
   26    24 S   HC   HB22    34     1.09546   111.27291  -177.26620
   27    22 S   N    _N3_    24     1.38513   112.35611   157.78105
   28    27 S   H    _HN3    25     1.01636   120.36163    -2.58581
   29    24 S   S    _SG2    35     1.82528   113.40983   -53.71152
   30    27 S   CT   _CA3    26     1.45348   122.60756   178.47453
   31    30 S   HC   HA31    27     1.09562   107.89289   -54.42044
   32    30 S   HC   HA32    28     1.09556   107.57982    61.98098
   33    29 S   CT   _C11    36     1.83669   100.47702   -74.41864
   34    33 S   HC   _H4_    37     1.09273   109.07666    29.82463
   35    30 S   CO3  _C3_    29     1.52917   114.16568  -176.34494
   36    35 S   O2Z  _O31    30     1.26361   116.00167     0.02798
   37    35 S   O2Z  _O32    31     1.26422   114.44251   179.98022
   38    33 S   CT   _C10    38     1.51808   110.13815   -93.66614
   39    38 S   HC   _H8_    39     1.09496   114.95766    37.27230
   40    38 S   HC   _H9_    40     1.09842   108.20106   156.07262
   41    38 S   CO   _C9_    41     1.52952   104.15673   -89.16034
   42    41 S   HC   _H3_    42     1.09624   111.21356  -135.41499
   43    41 S   N*   _N6_    43     1.45386   114.10476   104.06805
   44    41 S   OS   _O33    57     1.43829   107.30774   -17.39596
   45    43 S   CRAB _C8_    44     1.36930   127.86813  -108.74814
   46    45 S   HA   _H7_    45     1.08212   122.86934     0.70193
   47    33 S   CT   _C12    58     1.53058   114.16756   153.50838
   48    47 S   HC   _H5_    59     1.09891   108.97732  -165.24099
   49    45 S   NNA  _N7_    46     1.31690   112.11170  -179.47885
   50    47 S   CT   _C13    60     1.52659   116.57306   -41.89822
   51    50 S   HC   _H10    61     1.09605   110.82115    71.59250
   52    50 S   HC   _H11    62     1.09767   108.89387   -49.56272
   53    49 S   C56B _C6_    47     1.37453   105.04980     0.53595
   54    50 S   OS   _O34    63     1.42968   108.66207  -170.21781
   55    43 S   C56A _C7_    48     1.37073   125.04437    72.84743
   56    54 S   PR   _P1_    64     1.62219   116.73724   159.40731
   57    56 S   OM   _O36    65     1.64313    98.68625    65.55575
   58    56 S   OM   _O35    66     1.63941    97.97452   164.79346
   59    55 S   NB   _N5_    49     1.34237   127.77675    -0.81853
   60    59 S   CQ   _C4_    50     1.34721   110.65288  -179.57803
   61    60 S   HA   _H6_    51     1.08491   115.79187   179.97202
   62    60 S   NB   _N4_    52     1.35355   128.65330     0.00000
   63    53 S   CA   _C5_    53     1.40352   131.75683   179.88636
   64    63 S   NND  _N8_    54     1.38116   122.21677     0.14537
   65    64 S   H    _H12    55     1.01086   120.38278     0.02798
   66    64 S   H    _H13    56     1.01013   119.36491   180.00000
  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
  14   8   2   1   1  11   6   5  12   5  10   8   6   3   6   4
   6   6   3   2   8   3   6   2   1   1   4   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    47    48    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    50    51    52    54  
   38    39    40    41    44    47    48    50  
   36    37  
   37  
    0  
   39    40    41    42    43    45    55    44    47    48    50  
   40    41    42    43    44    47  
   41    42    43    44    47  
   42    43    45    46    49    53    55    59    44    47    48    50  
   43    45    55    44    47  
   45    46    49    53    55    59    60    63    44    47  
   47    48    50    51    52    54    45    55  
   46    49    53    55    59    63  
   49    53    55  
   48    50    51    52    54    56  
   50    51    52    54  
   53    55    59    62    63    64  
   51    52    54    56    57    58  
   52    54    56  
   54    56  
   55    59    60    62    63    64    65    66  
   56    57    58  
   59    60    61    62    63    64  
   57    58  
   58  
    0  
   60    61    62    63  
   61    62    63    64  
   62    63  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   50   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   59   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   63   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   65   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   250.000  1.527
   41    42   340.000  1.090
   41    43   275.000  1.479
   41    44   320.000  1.380
   43    45   440.000  1.371
   43    55   436.000  1.374
   45    46   367.000  1.080
   45    49   529.000  1.304
   49    53   414.000  1.391
   53    55   447.000  1.419
   53    63   469.000  1.404
   55    59   461.000  1.354
   59    60   502.000  1.324
   60    61   367.000  1.080
   60    62   502.000  1.324
   62    63   483.000  1.339
   63    64   481.000  1.340
   64    65   434.000  1.010
   64    66   434.000  1.010
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   320.000  1.410
   54    56   325.000  1.672
   56    57   325.000  1.672
   56    58   325.000  1.672
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  109.43000
   33    47    44    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    45.00000  112.01100
   38    41    43    75.00000  107.44000
   38    41    44    90.00000  108.56700
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  108.72000
   41    38    40    45.00000  108.72000
   41    43    45    70.00000  128.80000
   41    43    55    70.00000  125.80000
   41    44    47    60.00000  109.50000
   43    41    42    55.00000  103.44000
   43    45    46    35.00000  123.05000
   43    45    49    70.00000  113.90000
   43    55    53    70.00000  106.20000
   43    55    59    70.00000  126.20000
   45    49    53    70.00000  103.80000
   49    45    46    35.00000  123.05000
   49    53    55    70.00000  110.40000
   49    53    63    70.00000  132.40000
   53    55    59    70.00000  127.70000
   53    63    62    70.00000  117.30000
   53    63    64    70.00000  123.50000
   55    43    45    70.00000  105.40000
   55    59    60    70.00000  111.00000
   59    60    61    35.00000  115.45000
   59    60    62    70.00000  129.10000
   60    62    63    70.00000  118.60000
   62    60    61    35.00000  115.45000
   62    63    64    70.00000  119.30000
   63    53    55    85.00000  116.20000
   63    64    65    35.00000  120.00000
   63    64    66    35.00000  120.00000
   66    64    65    35.00000  120.00000
   44    41    42    35.00000  109.50000
   44    41    43   105.00000  106.22000
   44    47    48    35.00000  109.50000
   44    47    50    50.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    54    50.00000  109.50000
   50    47    48    37.50000  110.70000
   50    54    56   100.00000  120.50000
   52    50    51    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  109.50000
   54    56    57    45.00000  102.60000
   54    56    58    45.00000  102.60000
   58    56    57    35.00000   94.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43  -0.64600  1.0 1.0
   33    38    41    43   0.58400 -1.0 2.0
   33    38   -41    44   0.62750  1.0 1.0
   33    38   -41    44  -0.30950 -1.0 2.0
   33    38   -41    44   0.27300  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    54   0.62750  1.0 1.0
   33    47    50    54  -0.30950 -1.0 2.0
   33    47    50    54   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    47    44   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33   -47    44   0.62750  1.0 1.0
   38    33   -47    44  -0.30950 -1.0 2.0
   38    33   -47    44   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    50   0.56750  1.0 1.0
   38    33    47    50  -0.07550 -1.0 2.0
   38    33    47    50   0.20000  1.0 3.0
   38    41    43    45   1.10250  1.0 1.0
   38    41    43    45   0.01650 -1.0 2.0
   38    41    43    45   0.39100  1.0 3.0
   38    41    43    55   1.10250  1.0 1.0
   38    41    43    55   0.01650 -1.0 2.0
   38    41    43    55   0.39100  1.0 3.0
   38    41   -44    47   0.06250  1.0 1.0
   38    41   -44    47  -0.01100 -1.0 2.0
   38    41   -44    47   0.28050  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    45    46   3.62500 -1.0 2.0
   41    43    45    49   3.62500 -1.0 2.0
   41    43    55    53   0.81400  1.0 1.0
   41    43    55    53   1.55550 -1.0 2.0
   41    43    55    59   3.62500 -1.0 2.0
   41    44   -47    33   0.06250  1.0 1.0
   41    44   -47    33  -0.01100 -1.0 2.0
   41    44   -47    33   0.28050  1.0 3.0
   41    44    47    48   0.37050  1.0 3.0
   41    44    47    50   0.06250  1.0 1.0
   41    44    47    50  -0.01100 -1.0 2.0
   41    44    47    50   0.28050  1.0 3.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    55   0.00000  1.0 1.0
   42    41    44    47   0.37050  1.0 3.0
   43    41    44    47  -2.37750  1.0 1.0
   43    41    44    47  -0.08150 -1.0 2.0
   43    41    44    47   0.59000  1.0 3.0
   43    45   -49    53   3.62500 -1.0 2.0
   43    55    59    60   3.62500 -1.0 2.0
   45    43   -55    53   0.70250  1.0 1.0
   45    43   -55    53   1.56150 -1.0 2.0
   45    43    55    59   3.62500 -1.0 2.0
   45    49   -53    55   3.62500 -1.0 2.0
   45    49    53    63   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53   -55    43   3.62500 -1.0 2.0
   49    53    55    59   3.62500 -1.0 2.0
   49    53    63    62   3.62500 -1.0 2.0
   49    53    63    64   3.62500 -1.0 2.0
   53    55    59    60   3.62500 -1.0 2.0
   53    63    64    65   0.70000 -1.0 2.0
   53    63    64    66   0.70000 -1.0 2.0
   55    43    45    46   3.62500 -1.0 2.0
   55    43   -45    49   3.62500 -1.0 2.0
   55    53    63    62   3.62500 -1.0 2.0
   55    53    63    64   3.62500 -1.0 2.0
   55    59    60    61   3.62500 -1.0 2.0
   55    59   -60    62   3.62500 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   60    62   -63    53   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   62    63    64    65   0.70000 -1.0 2.0
   62    63    64    66   0.70000 -1.0 2.0
   63    53    55    43   3.00000 -1.0 2.0
   63    53   -55    59   3.62500 -1.0 2.0
   44    41    43    45   0.10350  1.0 1.0
   44    41    43    45  -0.15350 -1.0 2.0
   44    41    43    55   0.10350  1.0 1.0
   44    41    43    55  -0.15350 -1.0 2.0
   44    47    50    51   0.23400  1.0 3.0
   44    47    50    52   0.23400  1.0 3.0
   44    47    50    54   1.11900  1.0 1.0
   44    47    50    54  -1.16350 -1.0 2.0
   44    47    50    54  -0.34150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41   3.97050  1.0 1.0
   47    50    54    56  -2.65550  1.0 1.0
   47    50    54    56  -0.22350 -1.0 2.0
   47    50    54    56   0.24150  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    54   0.23400  1.0 3.0
   50    54    56    57   0.05050  1.0 1.0
   50    54    56    57  -1.30700 -1.0 2.0
   50    54    56    57   0.91550  1.0 3.0
   50    54    56    58   0.05050  1.0 1.0
   50    54    56    58  -1.30700 -1.0 2.0
   50    54    56    58   0.91550  1.0 3.0
   51    50    54    56   0.03000  1.0 3.0
   52    50    54    56   0.03000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   45    55    43    41   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   55    63    53    49   4.00000 -1.0 2.0
   53    59    55    43   4.00000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   62    64    63    53   4.00000 -1.0 2.0
   66    63    64    65   1.00000 -1.0 2.0
END
