* LIGAND DATABASE FILE (OPLS2005)
*
001      78    77    135    191     390
    1     0 S   NP   _N1_     1    30.06541    93.50502   -19.73986
    2     1 S   H    _HN1     2     1.02854   107.11702   106.77816
    3     1 S   H    _H1_     3     1.02752     5.90667  -158.82345
    4     1 S   H    _H2_     4     1.03478   102.19660    -6.64511
    5     1 S   CT   _CA1     5     1.49911   116.24946  -128.46102
    6     5 S   HC   _HA1     6     1.09509   105.09011    56.49522
    7     5 S   CO3  _C1_     7     1.53680   112.91312   -63.94733
    8     7 S   O2Z  _O11     8     1.26384   115.10155   -40.73806
    9     7 S   O2Z  _O12     9     1.26250   114.96658   138.68206
   10     5 S   CT   _CB1    10     1.53012   107.51954   174.87157
   11    10 S   HC   HB11    11     1.09655   109.87223   -45.02040
   12    10 S   HC   HB12    12     1.09818   110.49591    71.27499
   13    10 S   CT   _CG1    13     1.52917   112.62767  -166.16507
   14    13 S   HC   HG11    14     1.09553   111.17798   -70.14225
   15    13 S   HC   HG12    15     1.09565   111.00707    49.30029
   16    13 S   C    _CD1    16     1.51305   109.69673   168.39215
   17    16 S   O    _OE1    17     1.22871   121.53726   -95.16295
   18    16 S   N    _N2_    18     1.38374   112.81339    82.68260
   19    18 S   H    _HN2    19     1.01585   119.11682     2.89584
   20    18 S   CT1  _CA2    20     1.46063   123.31839  -177.12220
   21    20 S   HC   _HA2    21     1.09474   109.06638   -12.15567
   22    20 S   C    _C2_    22     1.53296   108.45416  -126.93906
   23    22 S   O    _O2_    23     1.23011   122.53766  -144.30956
   24    20 S   CT   _CB2    32     1.53422   111.69495   110.47491
   25    24 S   HC   HB21    33     1.09673   109.39898    60.89765
   26    24 S   HC   HB22    34     1.09501   111.02338   177.78239
   27    22 S   N    _N3_    24     1.38425   113.31536    43.31448
   28    27 S   H    _HN3    25     1.01655   119.58630    -4.23013
   29    24 S   S    _SG2    35     1.83201   114.77527   -58.41413
   30    27 S   CT   _CA3    26     1.45288   122.87224   176.40768
   31    30 S   HC   HA31    27     1.09563   107.70570   -58.53534
   32    30 S   HC   HA32    28     1.09560   107.71370    57.80247
   33    29 S   CT   _C7_    36     1.83038   100.57311   -66.45055
   34    33 S   HC   _H3_    37     1.09141   108.94830    51.43417
   35    30 S   CO3  _C3_    29     1.52879   114.28077   179.66662
   36    35 S   O2Z  _O31    30     1.26339   116.06934    -0.21761
   37    35 S   O2Z  _O32    31     1.26435   114.39661   179.78330
   38    33 S   CM   _C6_    38     1.50598   110.45340   -72.01948
   39    38 S   HC   _H9_    39     1.09201   115.43131   -61.38524
   40    33 S   C    _C8_    47     1.53101   107.29523   168.32637
   41    40 S   O    _O34    48     1.22986   123.19690    81.53935
   42    38 S   CMA  _C5_    40     1.35604   126.81038   118.73454
   43    42 S   OM   _O38    41     1.26793   123.81776   179.23562
   44    40 S   N    _N4_    49     1.38872   112.35849   -97.60220
   45    44 S   H    _H10    50     1.01595   119.33947    -1.94421
   46    42 S   OS   _O33    42     1.41619   111.85755     0.17914
   47    44 S   CT   _C9_    51     1.45563   123.61417  -179.11397
   48    47 S   HC   _H11    52     1.09604   105.79153   112.57870
   49    47 S   HC   _H12    53     1.09483   110.06402    -2.96167
   50    46 S   CT   _C4_    43     1.42723   114.05713  -142.15833
   51    50 S   HC   _H6_    44     1.09406   107.75192   171.37135
   52    50 S   HC   _H7_    45     1.09540   111.10609    53.26655
   53    50 S   HC   _H8_    46     1.09472   111.00369   -70.62078
   54    47 S   CT1  _C10    54     1.53273   112.14249  -127.56670
   55    54 S   HC   _H4_    55     1.09831   107.27190  -171.91854
   56    54 S   CO3  _C11    56     1.54552   114.50628    71.91361
   57    56 S   O2Z  _O36    57     1.26160   116.46916    22.16439
   58    56 S   O2Z  _O35    58     1.26715   114.99549  -159.04422
   59    54 S   N    _N5_    59     1.46769   110.36687   -55.73541
   60    59 S   H    _H13    60     1.01483   117.05492    95.38613
   61    59 S   C    _C12    61     1.38594   123.49464   -83.07432
   62    61 S   O    _O37    62     1.22922   124.17474     1.04885
   63    61 S   CT1  _C13    63     1.53111   112.35180  -179.43248
   64    63 S   HC   _H5_    64     1.09699   107.51863   -52.85417
   65    63 S   CTG  _C14    65     1.53849   112.18080    66.55815
   66    65 S   HC   _H14    66     1.09683   108.92331   -60.85101
   67    65 S   HC   _H15    67     1.09859   108.57745  -176.30096
   68    63 S   NT   _N6_    76     1.46390   109.07295  -169.70256
   69    68 S   H    _H21    77     1.01911   109.61196   175.26327
   70    68 S   H    _H22    78     1.01959   109.50030    58.90805
   71    65 S   CT   _C15    68     1.53135   113.92079    61.29312
   72    71 S   HC   _H16    69     1.09419   110.74814    61.86487
   73    71 S   HC   _H17    70     1.09422   110.61685   -58.84646
   74    71 S   S    _S1_    71     1.82293   109.73122  -178.34791
   75    74 S   CT   _C16    72     1.80834    98.53452   179.20821
   76    75 S   HC   _H18    73     1.09321   109.24004   179.92087
   77    75 S   HC   _H19    74     1.09308   110.38717    60.64737
   78    75 S   HC   _H20    75     1.09309   110.38220   -60.81659
  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   8   5   4   3
  11   6   2   1   1   8   4   8   3   6   2   8   4   4  10   5
   4   3   2   1   1   9   6   5   2   1   7   3  10   4  11   7
  10   6   5   3   1   1   7   3   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    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    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    50    40    41    44  
   42    43    46    40  
   41    44    45    47    48    49    54    42  
   44    45    47  
   43    46    50    51    52    53  
   46    50  
   45    47    48    49    54    55    56    59  
   47    48    49    54  
   50    51    52    53  
   48    49    54    55    56    57    58    59    60    61  
   49    54    55    56    59  
   54    55    56    59  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    62    63  
   56    57    58    59    60    61  
   57    58    59    60    61  
   58    59  
   59  
   60    61    62    63    64    65    68  
   61    62    63  
   62    63    64    65    66    67    71    68    69    70  
   63    64    65    68  
   64    65    66    67    71    72    73    74    68    69    70  
   65    66    67    71    68    69    70  
   66    67    71    72    73    74    75    68    69    70  
   67    71    72    73    74    68  
   71    72    73    74    68  
   69    70    71  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   75   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   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   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    45   434.000  1.010
   44    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    59   337.000  1.449
   56    57   656.000  1.250
   56    58   656.000  1.250
   59    60   434.000  1.010
   59    61   490.000  1.335
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   305.000  1.457
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   222.000  1.810
   74    75   222.000  1.810
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    69   434.000  1.010
   68    70   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    40    70.00000  112.33000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    70.00000  116.60000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   42    38    39    40.00000  120.50800
   42    46    50    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  115.00700
   40    44    45    35.00000  119.80000
   40    44    47    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    54    70.00000  110.72300
   47    44    45    38.00000  118.40000
   47    54    55    37.50000  110.70000
   47    54    56    63.00000  111.10000
   47    54    59    80.00000  109.70000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    70.00000  117.00000
   54    56    58    70.00000  117.00000
   54    59    60    38.00000  118.40000
   54    59    61    50.00000  121.90000
   56    54    55    35.00000  109.50000
   58    56    57    80.00000  126.00000
   59    54    55    35.00000  109.50000
   59    54    56    63.00000  110.10000
   59    61    62    80.00000  122.90000
   59    61    63    70.00000  116.60000
   61    59    60    35.00000  119.80000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  111.10000
   61    63    68    75.00000  111.54000
   63    61    62    80.00000  120.40000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    71    58.35000  112.70000
   63    68    69    50.00000  111.55300
   63    68    70    50.00000  111.55300
   65    63    64    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    50.00000  114.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    74    75    62.00000   98.90000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    63    64    50.00000  109.55000
   68    63    65    80.00000  111.22000
   70    68    69    43.60000  106.40000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   2.45000 -1.0 2.0
   33    40    44    47   1.49850  1.0 1.0
   33    40    44    47   1.53950 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.00000  1.0 1.0
   38    42    46    50  -2.26850  1.0 1.0
   38    42    46    50   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    50    51   0.08050  1.0 3.0
   42    46    50    52   0.08050  1.0 3.0
   42    46    50    53   0.08050  1.0 3.0
   43    42    46    50   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    49   0.00000  1.0 1.0
   40    44    47    54  -0.43950  1.0 1.0
   40    44    47    54  -0.08100 -1.0 2.0
   40    44    47    54   0.03350  1.0 3.0
   41    40    44    45   2.45000 -1.0 2.0
   41    40    44    47   3.04450 -1.0 2.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    56  -4.61400  1.0 1.0
   44    47    54    59   2.20050  1.0 1.0
   44    47    54    59   0.63450 -1.0 2.0
   44    47    54    59  -0.91300  1.0 3.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   45    44    47    54   0.00000  1.0 1.0
   47    54    56    57   0.00000  1.0 1.0
   47    54    56    58   0.00000  1.0 1.0
   47    54    59    60   0.00000  1.0 1.0
   47    54    59    61   0.25950  1.0 1.0
   47    54    59    61   0.43850 -1.0 2.0
   47    54    59    61   2.61650  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56  -0.03800  1.0 3.0
   48    47    54    59   0.23200  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56  -0.03800  1.0 3.0
   49    47    54    59   0.23200  1.0 3.0
   54    59    61    62   3.04450 -1.0 2.0
   54    59    61    63   1.15000  1.0 1.0
   54    59    61    63   3.04450 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61  -0.29800  1.0 1.0
   56    54    59    61   0.13950 -1.0 2.0
   56    54    59    61  -2.45650  1.0 3.0
   59    54    56    57   0.00000  1.0 1.0
   59    54    56    58   0.00000  1.0 1.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   0.93250  1.0 1.0
   59    61    63    65   0.04450 -1.0 2.0
   59    61    63    65   0.17550  1.0 3.0
   59    61    63    68   0.00000  1.0 1.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   2.45000 -1.0 2.0
   61    63    65    66  -0.03800  1.0 3.0
   61    63    65    67  -0.03800  1.0 3.0
   61    63    65    71   0.19200  1.0 1.0
   61    63    65    71  -0.38100 -1.0 2.0
   61    63    68    69   0.21900  1.0 1.0
   61    63    68    69  -0.24900 -1.0 2.0
   61    63    68    69   0.15200  1.0 3.0
   61    63    68    70   0.21900  1.0 1.0
   61    63    68    70  -0.24900 -1.0 2.0
   61    63    68    70   0.15200  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.30150 -1.0 2.0
   63    65    71    72   0.15000  1.0 3.0
   63    65    71    73   0.15000  1.0 3.0
   63    65    71    74   1.30950  1.0 1.0
   63    65    71    74  -0.31000 -1.0 2.0
   63    65    71    74   0.12900  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    71   0.15000  1.0 3.0
   64    63    68    69   0.20000  1.0 3.0
   64    63    68    70   0.20000  1.0 3.0
   65    63    68    69  -0.05950  1.0 1.0
   65    63    68    69   0.08850 -1.0 2.0
   65    63    68    69   0.11750  1.0 3.0
   65    63    68    70  -0.05950  1.0 1.0
   65    63    68    70   0.08850 -1.0 2.0
   65    63    68    70   0.11750  1.0 3.0
   65    71    74    75   0.46250  1.0 1.0
   65    71    74    75  -0.28800 -1.0 2.0
   65    71    74    75   0.33850  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.22600  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    74   0.22600  1.0 3.0
   71    74    75    76   0.32350  1.0 3.0
   71    74    75    77   0.32350  1.0 3.0
   71    74    75    78   0.32350  1.0 3.0
   72    71    74    75   0.32350  1.0 3.0
   73    71    74    75   0.32350  1.0 3.0
   68    63    65    66   0.15000  1.0 3.0
   68    63    65    67   0.15000  1.0 3.0
   68    63    65    71   1.53400  1.0 1.0
   68    63    65    71  -0.09950 -1.0 2.0
   68    63    65    71   0.05700  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    39    38    42  15.00000 -1.0 2.0
   43    46    42    38  15.00000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
   45    40    44    47   1.00000 -1.0 2.0
   57    54    56    58  10.50000 -1.0 2.0
   60    61    59    54   1.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
END
