* LIGAND DATABASE FILE (OPLS2005)
*
001      78    77    137    197     398
    1     0 S   NP   _N1_     1    29.23153    94.18054   -17.80600
    2     1 S   H    _HN1     2     1.03296    97.34103    35.51234
    3     1 S   H    _H1_     3     1.02696    41.93080   143.49167
    4     1 S   H    _H2_     4     1.03088    72.36234   -69.23394
    5     1 S   CT   _CA1     5     1.49826   147.86171  -173.44524
    6     5 S   HC   _HA1     6     1.09584   105.15600    32.61620
    7     5 S   CO3  _C1_     7     1.53779   112.67949   -87.42536
    8     7 S   O2Z  _O11     8     1.26330   115.30075   -45.93597
    9     7 S   O2Z  _O12     9     1.26317   114.84938   133.31139
   10     5 S   CT   _CB1    10     1.53086   107.41755   150.33515
   11    10 S   HC   HB11    11     1.09826   109.17576   -51.57868
   12    10 S   HC   HB12    12     1.09814   110.53552    64.96766
   13    10 S   CT   _CG1    13     1.52968   112.72599  -172.71915
   14    13 S   HC   HG11    14     1.09591   110.51054   -66.26515
   15    13 S   HC   HG12    15     1.09666   109.92120    53.00703
   16    13 S   C    _CD1    16     1.51788   112.20627   173.19401
   17    16 S   O    _OE1    17     1.22671   123.17831     0.39762
   18    16 S   N    _N2_    18     1.38688   111.63377  -178.87169
   19    18 S   H    _HN2    19     1.01558   118.78339     1.87409
   20    18 S   CT1  _CA2    20     1.46221   123.56277   176.88322
   21    20 S   HC   _HA2    21     1.09454   109.31935     6.85512
   22    20 S   C    _C2_    22     1.53723   109.09541  -108.62358
   23    22 S   O    _O2_    23     1.23126   122.09041  -150.73586
   24    20 S   CT   _CB2    32     1.53313   111.39321   129.50372
   25    24 S   HC   HB21    33     1.09668   109.51696    56.79224
   26    24 S   HC   HB22    34     1.09548   111.47192   174.14087
   27    22 S   N    _N3_    24     1.38285   114.15952    36.42495
   28    27 S   H    _HN3    25     1.01558   119.61179    -2.54845
   29    24 S   S    _SG2    35     1.82779   114.20446   -62.76792
   30    27 S   CT   _CA3    26     1.45305   123.08968   177.25163
   31    30 S   HC   HA31    27     1.09553   107.30755   -68.74168
   32    30 S   HC   HA32    28     1.09560   108.19586    47.68401
   33    29 S   CT   _C14    36     1.83011   100.08778   -75.91079
   34    33 S   HC   _H5_    37     1.09506   110.43686   -19.52213
   35    30 S   CO3  _C3_    29     1.52928   114.23268   169.75193
   36    35 S   O2Z  _O31    30     1.26345   116.13022    -3.93587
   37    35 S   O2Z  _O32    31     1.26448   114.39329   176.23012
   38    33 S   CM   _C13    38     1.50603   110.00477   104.15213
   39    38 S   HC   _H17    39     1.08859   115.65763    48.76712
   40    33 S   CO4  _C15    72     1.52157   107.47130  -137.29016
   41    40 S   O    _O36    73     1.22520   125.51117   -91.34769
   42    38 S   CMA  _C12    40     1.35259   125.34027  -131.36284
   43    42 S   OM   _O38    41     1.25890   130.17732     0.48011
   44    40 S   OS   _O37    74     1.36893   109.35737    87.10733
   45    42 S   NE   _N5_    42     1.38237   122.15333   179.81443
   46    45 S   H    _H16    43     1.01654   112.23154  -166.01174
   47    44 S   CT   _C16    75     1.43025   115.25509  -179.16187
   48    47 S   HC   _H18    76     1.09327   108.10502  -179.52978
   49    47 S   HC   _H19    77     1.09420   110.27164    61.80267
   50    47 S   HC   _H20    78     1.09422   110.31903   -60.83877
   51    45 S   CT   _C11    44     1.45195   128.72568     5.59307
   52    51 S   HC   _H14    45     1.09691   109.67581    44.02502
   53    51 S   HC   _H15    46     1.09611   109.39434   -73.87884
   54    51 S   CT1  _C10    47     1.53134   111.35257   163.68442
   55    54 S   HC   _H4_    48     1.09586   110.15444  -168.59506
   56    54 S   C    _C9_    49     1.52057   111.48028    69.91049
   57    56 S   O    _O35    50     1.22881   122.10379   -94.21835
   58    54 S   NP   _N6_    68     1.49482   109.53963   -52.89442
   59    58 S   H    _H21    69     1.02810   111.54064   -59.27113
   60    58 S   H    _H22    70     1.02798   111.63814   179.66138
   61    58 S   H    _H23    71     1.02966   110.66319    59.93737
   62    56 S   N    _N4_    51     1.38344   112.54715    85.48218
   63    62 S   H    _H13    52     1.01655   119.76649    -0.43251
   64    62 S   CT1  _C7_    53     1.46364   124.27027  -177.96471
   65    64 S   HC   _H3_    54     1.09794   107.23761    29.11536
   66    64 S   CO3  _C8_    55     1.54321   111.61943   146.25339
   67    66 S   O2Z  _O34    56     1.26449   115.41665  -153.58600
   68    66 S   O2Z  _O33    57     1.26552   115.78272    25.61910
   69    64 S   CTF  _C5_    58     1.54822   113.23200   -91.25668
   70    69 S   HC   _H9_    59     1.09866   108.04694  -172.65033
   71    69 S   CT   _C4_    60     1.53333   113.39750   -54.12194
   72    71 S   HC   _H6_    61     1.09495   111.70241    62.29041
   73    71 S   HC   _H7_    62     1.09401   111.45651   -58.93528
   74    71 S   HC   _H8_    63     1.09568   110.45854  -178.01101
   75    69 S   CT   _C6_    64     1.53168   111.92702    70.30494
   76    75 S   HC   _H10    65     1.09443   111.79476   -68.48512
   77    75 S   HC   _H11    66     1.09561   110.45647   171.93381
   78    75 S   HC   _H12    67     1.09486   110.97030    52.76076
  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
  10   6   2   1   1   9   4   7   2   7   3   4   8   4   3   2
   1   1  11   5   4  10   7  11   4   4   2   1   1  10   4  14
   7   6   2   1   9   8   7   3   2   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    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    40    41    44    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    45    46    51    40    41    44  
   42    43    45    40  
   41    44    47    48    49    50    42  
   44    47  
   43    45    46    51    52    53    54  
   45    46    51  
   47    48    49    50  
   46    51    52    53    54    55    56    58  
   51    52    53    54  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    62    58    59    60    61  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    62    63    64    58    59    60    61  
   56    57    62    58    59    60    61  
   57    62    63    64    65    66    69    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    71    75  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73    74    75    76    77    78  
   66    67    68    69    70    71    75  
   67    68    69    70    71    75  
   68    69  
   69  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   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   2.4200   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   3.5500   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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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    45   415.000  1.382
   45    46   434.000  1.010
   45    51   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    58   367.000  1.471
   56    57   570.000  1.229
   56    62   490.000  1.335
   62    63   434.000  1.010
   62    64   337.000  1.449
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    69   268.000  1.529
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   58    59   434.000  1.010
   58    60   434.000  1.010
   58    61   434.000  1.010
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    81.00000  111.40000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    45    75.00000  114.40000
   42    38    39    40.00000  120.50800
   42    45    46    50.00000  121.48000
   42    45    51    50.00000  121.00000
   45    42    43   105.00000  113.92000
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   45    51    54    80.00000  111.61500
   51    45    46    35.00000  112.50000
   51    54    55    37.50000  110.70000
   51    54    56    63.00000  111.10000
   51    54    58    80.00000  111.20000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    62    70.00000  116.60000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   56    54    55    35.00000  109.50000
   56    62    63    35.00000  119.80000
   56    62    64    50.00000  121.90000
   62    56    57    80.00000  122.90000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  110.10000
   62    64    69    80.00000  109.70000
   64    62    63    38.00000  118.40000
   64    66    67    70.00000  117.00000
   64    66    68    70.00000  117.00000
   64    69    70    37.50000  110.70000
   64    69    71    58.35000  112.70000
   64    69    75    58.35000  112.70000
   66    64    65    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    64    65    37.50000  110.70000
   69    64    66    63.00000  111.10000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   71    69    70    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   58    54    55    35.00000  109.50000
   58    54    56    80.00000  111.20000
   60    58    59    35.00000  109.50000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    44    47    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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  -0.62250  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   0.40000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    45   7.00000 -1.0 2.0
   33    40    44    47   1.63150  1.0 1.0
   33    40    44    47   2.92000 -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   0.40000  1.0 3.0
   38    42    45    46   1.00000 -1.0 2.0
   38    42    45    51  -0.54700  1.0 1.0
   38    42    45    51   1.23000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    45   7.00000 -1.0 2.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    53   0.00000  1.0 1.0
   42    45    51    54   0.25450  1.0 1.0
   42    45    51    54  -0.61700 -1.0 2.0
   42    45    51    54  -0.23550  1.0 3.0
   43    42    45    46   1.00000 -1.0 2.0
   43    42    45    51   1.00000 -1.0 2.0
   45    51    54    55   0.22950  1.0 3.0
   45    51    54    56  -2.10200  1.0 1.0
   45    51    54    56  -0.31600 -1.0 2.0
   45    51    54    56   0.13050  1.0 3.0
   45    51    54    58   2.45700  1.0 1.0
   45    51    54    58   1.17300 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   46    45    51    54   0.00000  1.0 1.0
   51    54    56    57   0.00000  1.0 1.0
   51    54    56    62   0.93250  1.0 1.0
   51    54    56    62   0.04450 -1.0 2.0
   51    54    56    62   0.17550  1.0 3.0
   51    54    58    59   0.17350  1.0 3.0
   51    54    58    60   0.17350  1.0 3.0
   51    54    58    61   0.17350  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56  -0.03800  1.0 3.0
   52    51    54    58   0.23200  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56  -0.03800  1.0 3.0
   53    51    54    58   0.23200  1.0 3.0
   54    56    62    63   2.45000 -1.0 2.0
   54    56    62    64   1.15000  1.0 1.0
   54    56    62    64   3.04450 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    62   0.00000  1.0 1.0
   55    54    58    59   0.13050  1.0 3.0
   55    54    58    60   0.13050  1.0 3.0
   55    54    58    61   0.13050  1.0 3.0
   56    54    58    59   0.17350  1.0 3.0
   56    54    58    60   0.17350  1.0 3.0
   56    54    58    61   0.17350  1.0 3.0
   56    62    64    65   0.00000  1.0 1.0
   56    62    64    66  -0.29800  1.0 1.0
   56    62    64    66   0.13950 -1.0 2.0
   56    62    64    66  -2.45650  1.0 3.0
   56    62    64    69   0.25950  1.0 1.0
   56    62    64    69   0.43850 -1.0 2.0
   56    62    64    69   2.61650  1.0 3.0
   57    56    62    63   2.45000 -1.0 2.0
   57    56    62    64   3.04450 -1.0 2.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    69    70   0.23200  1.0 3.0
   62    64    69    71   0.26400  1.0 1.0
   62    64    69    71   0.16150 -1.0 2.0
   62    64    69    71   0.25850  1.0 3.0
   62    64    69    75   0.26400  1.0 1.0
   62    64    69    75   0.16150 -1.0 2.0
   62    64    69    75   0.25850  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    69    71    72   0.15000  1.0 3.0
   64    69    71    73   0.15000  1.0 3.0
   64    69    71    74   0.15000  1.0 3.0
   64    69    75    76   0.15000  1.0 3.0
   64    69    75    77   0.15000  1.0 3.0
   64    69    75    78   0.15000  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    75   0.15000  1.0 3.0
   66    64    69    70  -0.03800  1.0 3.0
   66    64    69    71  -0.45800  1.0 1.0
   66    64    69    71   0.20550 -1.0 2.0
   66    64    69    75  -0.45800  1.0 1.0
   66    64    69    75   0.20550 -1.0 2.0
   69    64    66    67   0.00000  1.0 1.0
   69    64    66    68   0.00000  1.0 1.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   75    69    71    72   0.15000  1.0 3.0
   75    69    71    73   0.15000  1.0 3.0
   75    69    71    74   0.15000  1.0 3.0
   58    54    56    57   0.00000  1.0 1.0
   58    54    56    62   0.37150  1.0 1.0
   58    54    56    62   1.25400 -1.0 2.0
   58    54    56    62  -0.40250  1.0 3.0
   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   0.08050  1.0 3.0
   40    44    47    49   0.08050  1.0 3.0
   40    44    47    50   0.08050  1.0 3.0
   41    40    44    47   3.00000 -1.0 2.0
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
   45    43    42    38  15.00000 -1.0 2.0
   46    42    45    51   1.00000 -1.0 2.0
   54    62    56    57  10.50000 -1.0 2.0
   63    56    62    64   1.00000 -1.0 2.0
   67    64    66    68  10.50000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
END
