* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    118    180     347
    1     0 S   NP   _N1_     1    30.04766    93.03638   -18.76158
    2     1 S   H    _HN1     2     1.02970   116.35098   102.98029
    3     1 S   H    _H1_     3     1.02779     9.14800    93.97482
    4     1 S   H    _H2_     4     1.02922   105.10951   -16.25722
    5     1 S   CT   _CA1     5     1.50137   105.17894  -134.37376
    6     5 S   HC   _HA1     6     1.09561   105.27706    50.81956
    7     5 S   CO3  _C1_     7     1.53668   112.73532   -69.80463
    8     7 S   O2Z  _O11     8     1.26368   115.08170   -43.28562
    9     7 S   O2Z  _O12     9     1.26244   114.93735   135.95105
   10     5 S   CT   _CB1    10     1.52769   107.00188   168.69092
   11    10 S   HC   HB11    11     1.09699   109.19187   -50.52920
   12    10 S   HC   HB12    12     1.09808   110.25381    65.56854
   13    10 S   CT   _CG1    13     1.52949   113.38177  -171.40735
   14    13 S   HC   HG11    14     1.09543   111.32899   -70.73688
   15    13 S   HC   HG12    15     1.09580   110.93490    49.14859
   16    13 S   C    _CD1    16     1.51330   109.14342   168.22548
   17    16 S   O    _OE1    17     1.22805   121.75040  -100.74160
   18    16 S   N    _N2_    18     1.38396   112.76180    76.83918
   19    18 S   H    _HN2    19     1.01554   119.14868     7.64406
   20    18 S   CT1  _CA2    20     1.46005   123.20387  -172.13408
   21    20 S   HC   _HA2    21     1.09497   108.79833     5.86718
   22    20 S   C    _C2_    22     1.53410   109.51938  -110.00441
   23    22 S   O    _O2_    23     1.23101   122.11222  -146.28215
   24    20 S   CT   _CB2    32     1.53535   111.25122   127.52991
   25    24 S   HC   HB21    33     1.09687   109.21903    64.27585
   26    24 S   HC   HB22    34     1.09470   111.31014  -178.83668
   27    22 S   N    _N3_    24     1.38301   113.94214    40.84008
   28    27 S   H    _HN3    25     1.01589   119.70959    -2.17223
   29    24 S   S    _SG2    35     1.82937   114.33208   -54.31507
   30    27 S   CT   _CA3    26     1.45312   122.86632   176.63495
   31    30 S   HC   HA31    27     1.09556   107.38900   -67.24088
   32    30 S   HC   HA32    28     1.09569   108.06198    49.11906
   33    29 S   CT   _C12    36     1.84777   101.16651   -75.27835
   34    33 S   HC   _H3_    37     1.09174   107.94752    49.06010
   35    30 S   CO3  _C3_    29     1.52890   114.35591   171.33834
   36    35 S   O2Z  _O31    30     1.26329   116.15235     2.26995
   37    35 S   O2Z  _O32    31     1.26465   114.38869  -177.61255
   38    33 S   CO4  _C11    38     1.53431   107.53184   -72.19771
   39    38 S   O    _O35    39     1.23115   122.56852   -49.22932
   40    33 S   CT   _C13    58     1.54771   110.17984   169.31419
   41    40 S   HC   _H4_    59     1.09573   109.38094    63.56931
   42    38 S   CA   _C9_    40     1.48905   119.66698   134.48344
   43    40 S   CM   _C14    60     1.51702   114.04861   -62.26022
   44    43 S   HC   _H11    61     1.09103   114.77562   -56.29234
   45    40 S   CO3  _C17    68     1.55039   110.47782  -179.15004
   46    45 S   O2Z  _O40    69     1.26393   116.19487    44.55156
   47    45 S   O2Z  _O39    70     1.26516   114.66749  -135.15448
   48    42 S   CA   _C8_    41     1.39850   120.07605   -41.73359
   49    48 S   HA   _H9_    42     1.08471   120.12745    -0.35388
   50    43 S   CM   _C15    62     1.34092   128.40360   126.50864
   51    48 S   CA   _C7_    43     1.40434   121.07263  -179.18771
   52    50 S   CO3  _C16    63     1.55002   126.36894    -2.69522
   53    52 S   O2Z  _O37    64     1.26772   113.65877   143.41581
   54    52 S   O2Z  _O36    65     1.26097   116.75815   -40.35733
   55    50 S   OH   _O38    66     1.38950   119.16983   174.72311
   56    55 S   HO   _H12    67     0.97623   105.61083  -160.86234
   57    51 S   CA   _C6_    44     1.40584   118.65220     0.02798
   58    57 S   HA   _H8_    45     1.08629   118.41218  -179.92598
   59    51 S   CO3  _C18    55     1.51133   120.60608   179.69353
   60    59 S   O2Z  _O42    56     1.27106   117.29864   178.91538
   61    59 S   O2Z  _O41    57     1.27075   117.28626    -1.22987
   62    57 S   CA   _C5_    46     1.39983   121.13146     0.43790
   63    42 S   CA   _C10    47     1.40293   120.61886   139.87995
   64    62 S   OS   _O33    50     1.37245   124.88086   179.63309
   65    63 S   OH   _O34    48     1.37338   122.05108    -1.21305
   66    65 S   HO   _H10    49     0.97310   109.21706     3.63001
   67    64 S   CT   _C4_    51     1.42206   117.28650     1.53939
   68    67 S   HC   _H5_    52     1.09431   107.73116   179.11530
   69    67 S   HC   _H6_    53     1.09499   111.18858    61.40401
   70    67 S   HC   _H7_    54     1.09493   111.12390   -63.21704
  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   9   5   4   3
  14   7   2   1   1  12   4  10   6  10  10   4   3   1   1  10
   4   5   8   4   2   1   1   1   9   4   3   1   1   8   4   5
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    42    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    63    40    41    43    44    50    45    46    47  
   38    39    42    40    41    43    45  
   36    37  
   37  
    0  
   39    42    48    49    51    62    63    65    40    41    43    45  
   42    48    63    40  
   41    43    44    50    52    55    45    46    47    42  
   43    44    50    45    46    47  
   48    49    51    57    62    63    65    66    64    59  
   44    50    52    53    54    55    56    45    46    47  
   50    52    55    45  
   46    47    50  
   47  
    0  
   49    51    57    58    62    63    65    59    60    61  
   51    57    63    59  
   52    53    54    55    56  
   57    58    62    63    64    59    60    61  
   53    54    55    56  
   54    55  
   55  
   56  
    0  
   58    62    63    65    64    67    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    65    66    64    67    68    69    70  
   65    66    64    67  
   67    68    69    70    65  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    48   469.000  1.400
   42    63   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    57   469.000  1.400
   51    59   400.000  1.490
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   450.000  1.364
   65    66   553.000  0.945
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   656.000  1.250
   59    61   656.000  1.250
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    45   317.000  1.522
   43    44   340.000  1.080
   43    50   549.000  1.340
   50    52   230.000  1.545
   50    55   510.000  1.338
   52    53   656.000  1.250
   52    54   656.000  1.250
   55    56   553.000  0.945
   45    46   656.000  1.250
   45    47   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   33    40    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    48    60.00000  119.52600
   38    42    63    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    48    49    35.00000  120.00000
   42    48    51    63.00000  120.00000
   42    63    62    63.00000  120.00000
   42    63    65    70.00000  120.00000
   48    51    57    63.00000  120.00000
   48    51    59    85.00000  120.00000
   51    48    49    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    62    63.00000  120.00000
   51    59    60    80.00000  120.40000
   51    59    61    80.00000  120.40000
   57    62    63    63.00000  120.00000
   57    62    64    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    65    70.00000  120.00000
   62    64    67    75.00000  111.00000
   63    42    48    63.00000  120.00000
   63    65    66    35.00000  113.00000
   64    62    63    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    51    57    85.00000  120.00000
   61    59    60    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    43    44    35.00000  117.00000
   40    43    50    70.00000  124.00000
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   43    40    41    35.00000  109.50000
   43    50    52    55.00000  124.75400
   43    50    55    80.00000  121.38400
   50    43    44    35.00000  120.00000
   50    52    53    85.00000  113.83300
   50    52    54    85.00000  113.83300
   50    55    56    70.00000  107.45700
   54    52    53    80.00000  126.00000
   55    50    52    80.00000  119.00000
   45    40    41    35.00000  109.50000
   45    40    43    65.00000  111.94000
   47    45    46    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    48   2.26350  1.0 1.0
   33    38    42    48   0.76750 -1.0 2.0
   33    38    42    48   0.22500  1.0 3.0
   33    38    42    63   2.26350  1.0 1.0
   33    38    42    63   0.76750 -1.0 2.0
   33    38    42    63   0.22500  1.0 3.0
   33    40    43    44   0.00000  1.0 1.0
   33    40    43    50   0.09850  1.0 1.0
   33    40    43    50   0.15250 -1.0 2.0
   33    40    43    50  -0.50650  1.0 3.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    33    40    45  -0.30950  1.0 1.0
   38    33    40    45   1.11150 -1.0 2.0
   38    33    40    45   0.40350  1.0 3.0
   38    42    48    49   3.62500 -1.0 2.0
   38    42    48    51   3.62500 -1.0 2.0
   38    42    63    62   3.62500 -1.0 2.0
   38    42    63    65   3.62500 -1.0 2.0
   39    38    42    48   1.05000 -1.0 2.0
   39    38    42    63   1.05000 -1.0 2.0
   42    48    51    57   3.62500 -1.0 2.0
   42    48    51    59   3.62500 -1.0 2.0
   42    63    65    66   0.84100 -1.0 2.0
   48    42    63    62   3.62500 -1.0 2.0
   48    42    63    65   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    51   -57    62   3.62500 -1.0 2.0
   48    51    59    60   1.05000 -1.0 2.0
   48    51    59    61   1.05000 -1.0 2.0
   49    48    51    57   3.62500 -1.0 2.0
   49    48    51    59   3.62500 -1.0 2.0
   51    57    62    63   3.62500 -1.0 2.0
   51    57    62    64   3.62500 -1.0 2.0
   57    51    59    60   1.05000 -1.0 2.0
   57    51    59    61   1.05000 -1.0 2.0
   57    62   -63    42   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    64    67   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    63    65    66   0.84100 -1.0 2.0
   62    64    67    68   0.08050  1.0 3.0
   62    64    67    69   0.08050  1.0 3.0
   62    64    67    70   0.08050  1.0 3.0
   63    42    48    49   3.62500 -1.0 2.0
   63    42   -48    51   3.62500 -1.0 2.0
   63    62    64    67   1.63200 -1.0 2.0
   64    62    63    42   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   59    51    57    62   3.62500 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   0.05850 -1.0 2.0
   40    33    38    42   0.17250  1.0 3.0
   40    43    50    52   7.00000 -1.0 2.0
   40    43    50    55   7.00000 -1.0 2.0
   41    40    43    44   0.33100  1.0 3.0
   41    40    43    50   0.00000  1.0 1.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   43    40    45    46   0.30150 -1.0 2.0
   43    40    45    47   0.30150 -1.0 2.0
   43    50    52    53  -0.04000 -1.0 2.0
   43    50    52    53  -0.29050  1.0 3.0
   43    50    52    54  -0.04000 -1.0 2.0
   43    50    52    54  -0.29050  1.0 3.0
   43    50    55    56  -0.66100  1.0 1.0
   43    50    55    56   1.20850 -1.0 2.0
   43    50    55    56  -0.36000  1.0 3.0
   44    43    50    52   7.00000 -1.0 2.0
   44    43    50    55   7.00000 -1.0 2.0
   52    50    55    56   2.00000 -1.0 2.0
   55    50    52    53   1.68800 -1.0 2.0
   55    50    52    54   1.68800 -1.0 2.0
   45    40    43    44   0.00000  1.0 1.0
   45    40    43    50  -0.51250  1.0 1.0
   45    40    43    50  -0.88800 -1.0 2.0
   45    40    43    50   0.08850  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
   33    42    38    39  10.50000 -1.0 2.0
   48    63    42    38   4.00000 -1.0 2.0
   51    49    48    42   1.10000 -1.0 2.0
   57    59    51    48   4.00000 -1.0 2.0
   62    58    57    51   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   62    65    63    42   4.00000 -1.0 2.0
   60    51    59    61  10.50000 -1.0 2.0
   40    44    43    50  15.00000 -1.0 2.0
   52    55    50    43  15.00000 -1.0 2.0
   53    50    52    54  10.50000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
