* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    125    193     356
    1     0 S   NP   _N1_     1    30.76182    91.13283   -23.11960
    2     1 S   H    _HN1     2     1.02938    94.83174    84.50020
    3     1 S   H    _H1_     3     1.02733    16.00247   -59.12565
    4     1 S   H    _H2_     4     1.03362   121.71916   -29.71266
    5     1 S   CT   _CA1     5     1.49877   108.81187  -161.29288
    6     5 S   HC   _HA1     6     1.09568   105.24431    78.92015
    7     5 S   CO3  _C1_     7     1.53725   112.79484   -41.53774
    8     7 S   O2Z  _O11     8     1.26355   115.20906   -44.08836
    9     7 S   O2Z  _O12     9     1.26287   114.89765   135.29305
   10     5 S   CT   _CB1    10     1.52925   107.24013  -163.07720
   11    10 S   HC   HB11    11     1.09790   109.70478   -49.31494
   12    10 S   HC   HB12    12     1.09797   110.16810    66.91503
   13    10 S   CT   _CG1    13     1.52946   112.90503  -170.42199
   14    13 S   HC   HG11    14     1.09547   111.35334   -66.68199
   15    13 S   HC   HG12    15     1.09594   110.77264    53.02479
   16    13 S   C    _CD1    16     1.51226   109.68940   172.40986
   17    16 S   O    _OE1    17     1.22854   121.81146  -102.19753
   18    16 S   N    _N2_    18     1.38336   112.90873    75.91598
   19    18 S   H    _HN2    19     1.01600   119.30507     7.03051
   20    18 S   CT1  _CA2    20     1.45572   122.58095  -175.07379
   21    20 S   HC   _HA2    21     1.09512   109.39755    26.41656
   22    20 S   C    _C2_    22     1.52781   105.35638   -90.80178
   23    22 S   O    _O2_    23     1.22971   122.64680   -79.99010
   24    20 S   CT   _CB2    32     1.53234   111.92046   149.16688
   25    24 S   HC   HB21    33     1.09657   110.05404    63.45378
   26    24 S   HC   HB22    34     1.09531   110.45707  -180.00000
   27    22 S   N    _N3_    24     1.38436   112.85915    95.77724
   28    27 S   H    _HN3    25     1.01681   120.23314    -0.38206
   29    24 S   S    _SG2    35     1.83364   115.55615   -55.73735
   30    27 S   CT   _CA3    26     1.45316   122.62815  -177.83572
   31    30 S   HC   HA31    27     1.09558   107.70945   -58.63719
   32    30 S   HC   HA32    28     1.09566   107.71631    57.71166
   33    29 S   CT   _C5_    36     1.83614   102.21508   -53.69099
   34    33 S   HC   _H3_    37     1.09370   108.51889    59.64428
   35    30 S   CO3  _C3_    29     1.52906   114.27520   179.45070
   36    35 S   O2Z  _O31    30     1.26339   116.07569    -0.32805
   37    35 S   O2Z  _O32    31     1.26433   114.39977   179.69739
   38    33 S   C4T  _C6_    38     1.53268   108.20063   178.63757
   39    38 S   HC   _H4_    39     1.10074   111.90866    60.83756
   40    33 S   CT   _C4_    66     1.52794   110.52064   -61.79863
   41    40 S   HC   _H6_    67     1.09618   111.70619   -56.66238
   42    40 S   HC   _H7_    68     1.09502   110.95717  -175.63412
   43    40 S   HC   _H8_    69     1.09389   111.99572    65.20144
   44    38 S   C4   _C11    40     1.55803   117.26208   -68.92557
   45    44 S   O    _O33    41     1.21080   136.52258    52.24999
   46    38 S   C4T  _C7_    48     1.57580   117.39390  -168.24324
   47    46 S   HC   _H5_    49     1.09891   112.23592  -126.72589
   48    44 S   N4   _N4_    42     1.36296    91.23983  -122.52184
   49    48 S   CM   _C10    43     1.36969   124.43514   125.44385
   50    49 S   CM   _C9_    44     1.33910   110.83664  -109.03589
   51    49 S   CO3  _C12    63     1.53185   122.01153    66.58968
   52    51 S   O2Z  _O35    64     1.26457   115.65715  -114.11824
   53    51 S   O2Z  _O34    65     1.26406   114.91196    64.15874
   54    50 S   CT   _C8_    45     1.50784   111.00665    -0.86795
   55    54 S   HC   _H9_    46     1.09313   111.69575   116.92095
   56    54 S   HC   _H10    47     1.09555   110.71015  -121.65719
   57    50 S   S    _S1_    50     1.71845   127.07604   176.16386
   58    57 S   CM   _C13    51     1.73403    97.04284   -99.08465
   59    58 S   HC   _H11    52     1.08644   118.60996     7.59463
   60    58 S   CM   _C14    53     1.33843   121.99543  -172.37723
   61    60 S   HC   _H12    54     1.08561   122.15417    -0.38664
   62    60 S   N    _N5_    55     1.37314   121.62260   179.20475
   63    62 S   H    _H13    56     1.01914   117.43886    -0.49811
   64    62 S   C    _C15    57     1.38583   123.83463  -179.89721
   65    64 S   O    _O36    58     1.22841   126.01581     0.02798
   66    64 S   CT   _C16    59     1.50611   112.14237   178.96827
   67    66 S   HC   _H14    60     1.09394   110.49945    45.39466
   68    66 S   HC   _H15    61     1.09324   109.38203   -75.15103
   69    66 S   HC   _H16    62     1.09351   109.63197   165.02893
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  13   8   2   1   1  15   7   5   2   1   1   8   3   9   6   9
   9  10   4   1   1   4   2   1   5   6   3   6   3   7   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    48    54    46    47    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    48    49    50    54    55    56    46    47    40    41    42    43  
   44    45    48    54    46    47    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    48    49    50    54    46    47    51  
   48    49    46  
   47    57    51    48    49    50    54    55    56  
   48    49    50    54    55    56  
   49    50    54    55    56    57    51    52    53  
   50    54    55    56    57    58    51    52    53  
   54    55    56    57    58    59    60    51    52    53  
   52    53    54    57  
   53  
    0  
   55    56    57    58  
   56    57  
   57  
   58    59    60    61    62  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.166300   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  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.6000   0.3550  -0.015000   2.0300   1.8000   0.025682759  -1.666211680
   58   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   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    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   260.000  1.519
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   250.000  1.540
   38    46   268.000  1.529
   44    45   930.000  1.212
   44    48   440.000  1.369
   48    49   400.000  1.384
   48    46   305.000  1.456
   49    50   549.000  1.340
   49    51   230.000  1.545
   50    54   317.000  1.510
   50    57   240.000  1.763
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    46   260.000  1.519
   46    47   340.000  1.090
   57    58   240.000  1.763
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   400.000  1.384
   62    63   434.000  1.010
   62    64   490.000  1.335
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   51    52   656.000  1.250
   51    53   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    75.00000  111.63000
   33    38    39    45.00000  112.72800
   33    38    44    63.00000  111.10000
   33    38    46    65.00000  119.52000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    45.00000  111.22300
   38    44    45    60.00000  136.58000
   38    44    48    95.00000   92.72400
   38    46    48   105.00000   87.49700
   38    46    54    65.00000  119.52000
   38    46    47    37.50000  110.70000
   44    38    39    40.00000  113.37500
   44    48    49    50.00000  132.10000
   44    48    46   100.00000   93.00000
   48    44    45    75.00000  131.60000
   48    49    50    75.00000  120.83300
   48    49    51    80.00000  114.48000
   48    46    54    80.00000  110.05700
   48    46    47    50.00000  112.01000
   49    50    54    70.00000  124.00000
   49    50    57    65.00000  122.11800
   49    51    52    85.00000  113.83300
   49    51    53    85.00000  113.83300
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    46    70.00000  112.02700
   50    57    58   100.00000   99.78000
   54    46    47    45.00000  112.72800
   56    54    55    33.00000  107.80000
   46    38    39    37.50000  110.70000
   46    38    44   100.00000   86.36000
   46    48    49    50.00000  132.70000
   46    54    55    45.00000  111.22300
   46    54    56    45.00000  111.22300
   57    50    54    65.00000  117.37300
   57    58    59    40.00000  115.49800
   57    58    60    65.00000  122.11800
   58    60    61    35.00000  120.00000
   58    60    62    75.00000  120.83300
   60    58    59    35.00000  120.00000
   60    62    63    45.00000  117.55000
   60    62    64    70.00000  120.89900
   62    60    61    45.00000  111.09300
   62    64    65    80.00000  122.90000
   62    64    66    70.00000  116.60000
   64    62    63    35.00000  119.80000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    35.00000  109.50000
   66    64    65    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   51    49    50    55.00000  124.75400
   53    51    52    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.98000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   1.39750  1.0 1.0
   33    38    44    48  -0.07950 -1.0 2.0
   33    38    44    48  -0.18750  1.0 3.0
   33    38   -46    48   0.43900  1.0 1.0
   33    38   -46    48   0.49100 -1.0 2.0
   33    38   -46    48   0.28400  1.0 3.0
   33    38    46    54   0.56750  1.0 1.0
   33    38    46    54  -0.07550 -1.0 2.0
   33    38    46    54   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    48    49   3.00000 -1.0 2.0
   38    44   -48    46   3.00000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   39    38   -46    48   0.15000  1.0 3.0
   39    38    46    54   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   44    38   -46    48   3.00000 -1.0 2.0
   44    38    46    54  -0.95700  1.0 1.0
   44    38    46    54  -0.18200 -1.0 2.0
   44    38    46    54   0.29450  1.0 3.0
   44    38    46    47   0.15000  1.0 3.0
   44    48    49    50   0.00000  1.0 1.0
   44    48    49    51   0.00000  1.0 1.0
   44    48   -46    38   0.00000  1.0 1.0
   44    48   -46    54   0.00000  1.0 1.0
   44    48   -46    47   0.00000  1.0 1.0
   45    44    48    49   3.00000 -1.0 2.0
   45    44    48    46   3.00000 -1.0 2.0
   48    49   -50    54   7.00000 -1.0 2.0
   48    49    50    57   7.00000 -1.0 2.0
   48    49    51    52   1.91650 -1.0 2.0
   48    49    51    53   1.91650 -1.0 2.0
   49    48   -46    38   0.00000  1.0 1.0
   49    48   -46    54   0.00000  1.0 1.0
   49    48    46    47   0.00000  1.0 1.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    50   -54    46   0.09850  1.0 1.0
   49    50   -54    46   0.15250 -1.0 2.0
   49    50   -54    46  -0.50650  1.0 3.0
   49    50    57    58   1.00000 -1.0 2.0
   50    49    51    52  -0.04000 -1.0 2.0
   50    49    51    52  -0.29050  1.0 3.0
   50    49    51    53  -0.04000 -1.0 2.0
   50    49    51    53  -0.29050  1.0 3.0
   50    54    46    38   0.34400  1.0 1.0
   50    54    46    38   0.09450 -1.0 2.0
   50    54    46    38   0.11100  1.0 3.0
   50    54   -46    48   0.21700  1.0 1.0
   50    54   -46    48   0.68550 -1.0 2.0
   50    54   -46    48  -0.27950  1.0 3.0
   50    54    46    47   0.15000  1.0 3.0
   50    57    58    59   1.00000 -1.0 2.0
   50    57    58    60   1.00000 -1.0 2.0
   54    50    57    58   1.00000 -1.0 2.0
   55    54    46    38   0.00000  1.0 1.0
   55    54    46    48   0.15000  1.0 3.0
   55    54    46    47   0.15000  1.0 3.0
   56    54    46    38   0.00000  1.0 1.0
   56    54    46    48   0.15000  1.0 3.0
   56    54    46    47   0.15000  1.0 3.0
   46    38   -44    45  -0.11250  1.0 1.0
   46    38   -44    45   0.11400 -1.0 2.0
   46    38   -44    45  -0.28950  1.0 3.0
   46    38   -44    48   3.00000 -1.0 2.0
   46    48   -49    50   0.00000  1.0 1.0
   46    48    49    51   0.00000  1.0 1.0
   57    50    54    55   0.00000  1.0 1.0
   57    50    54    56   0.00000  1.0 1.0
   57    50    54    46   0.09700  1.0 1.0
   57    50    54    46   0.15600 -1.0 2.0
   57    50    54    46  -0.50800  1.0 3.0
   57    58    60    61   7.00000 -1.0 2.0
   57    58    60    62   7.00000 -1.0 2.0
   58    60    62    63   0.78350 -1.0 2.0
   58    60    62    64  -0.18900  1.0 1.0
   58    60    62    64   1.70900 -1.0 2.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62    64    65   2.67200 -1.0 2.0
   60    62    64    66   0.67100  1.0 1.0
   60    62    64    66   1.42150 -1.0 2.0
   60    62    64    66   0.18700  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   1.44600  1.0 1.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    66    69   0.00000  1.0 1.0
   63    62    64    65   2.45000 -1.0 2.0
   63    62    64    66   2.45000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    69   0.00000  1.0 1.0
   51    49    50    54   7.00000 -1.0 2.0
   51    49    50    57   7.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.04050  1.0 1.0
   40    33    38    46   0.63700 -1.0 2.0
   40    33    38    46   0.17650  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
   38    48    44    45  10.50000 -1.0 2.0
   46    44    48    49   1.00000 -1.0 2.0
   48    51    49    50   1.10000 -1.0 2.0
   54    57    50    49   1.10000 -1.0 2.0
   57    59    58    60  15.00000 -1.0 2.0
   62    61    60    58  15.00000 -1.0 2.0
   63    64    62    60   1.00000 -1.0 2.0
   62    66    64    65  10.50000 -1.0 2.0
   52    49    51    53  10.50000 -1.0 2.0
END
