* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    215     395
    1     0 S   NP   _N1_     1    31.44471   100.20472   -20.69181
    2     1 S   H    _HN1     2     1.03448   172.94742  -159.56309
    3     1 S   H    _H1_     3     1.02836    67.29285  -114.09679
    4     1 S   H    _H2_     4     1.02722    70.24430   126.24872
    5     1 S   CT   _CA1     5     1.50246    74.53138     6.69843
    6     5 S   HC   _HA1     6     1.09474   104.89038   115.84505
    7     5 S   CO3  _C1_     7     1.53826   113.42877    -4.55965
    8     7 S   O2Z  _O11     8     1.26472   115.09390   -23.20743
    9     7 S   O2Z  _O12     9     1.26254   115.28092   156.46603
   10     5 S   CT   _CB1    10     1.52985   107.30911  -125.46230
   11    10 S   HC   HB11    11     1.09492   109.39266   -36.74422
   12    10 S   HC   HB12    12     1.09836   110.44509    78.78918
   13    10 S   CT   _CG1    13     1.53268   113.17194  -159.18148
   14    13 S   HC   HG11    14     1.09538   110.85019   -93.02057
   15    13 S   HC   HG12    15     1.09588   111.72167    26.46375
   16    13 S   C    _CD1    16     1.51511   109.51994   146.64527
   17    16 S   O    _OE1    17     1.22803   122.10514    98.09352
   18    16 S   N    _N2_    18     1.38488   112.40183   -79.01544
   19    18 S   H    _HN2    19     1.02069   119.10678    -6.31820
   20    18 S   CT1  _CA2    20     1.45875   123.18587   172.83204
   21    20 S   HC   _HA2    21     1.09661   108.63633    33.07211
   22    20 S   C    _C2_    22     1.53262   108.44230   -83.89369
   23    22 S   O    _O2_    23     1.23105   121.19259   150.43947
   24    20 S   CT   _CB2    32     1.53343   112.16945   156.67205
   25    24 S   HC   HB21    33     1.09317   109.66945    64.58823
   26    24 S   HC   HB22    34     1.09534   109.60411  -178.06447
   27    22 S   N    _N3_    24     1.38450   114.24053   -37.28569
   28    27 S   H    _HN3    25     1.01648   119.19788     2.24437
   29    24 S   S    _SG2    35     1.82924   111.40814   -58.08590
   30    27 S   CT   _CA3    26     1.45247   123.34531  -177.30115
   31    30 S   HC   HA31    27     1.09561   108.19322   -45.52809
   32    30 S   HC   HA32    28     1.09550   107.19922    70.79158
   33    29 S   CT   _C17    36     1.87273   101.59316   152.50533
   34    30 S   CO3  _C3_    29     1.53067   114.51895  -167.78119
   35    34 S   O2Z  _O31    30     1.26400   116.45070     2.27839
   36    34 S   O2Z  _O32    31     1.26468   114.31574  -177.99143
   37    33 S   CM   _C12    37     1.54436   109.81145   -57.40321
   38    33 S   CT   _C19    67     1.55694   104.28593  -175.93986
   39    38 S   HC   _H16    68     1.09684   111.95087    58.30816
   40    38 S   HC   _H17    69     1.09878   110.46832   -61.34658
   41    37 S   N4   _N5_    38     1.36357   119.36591   128.61631
   42    37 S   CMA  _C13    64     1.53171   121.28007   -58.75654
   43    42 S   OM   _O3_    65     1.26366   120.16199   100.56347
   44    42 S   OM   _O4_    66     1.26276   121.20020   -81.40891
   45    38 S   OS   _O6_    70     1.44016   110.32287   179.65057
   46    41 S   C4   _C5_    39     1.35305   136.92321   164.33791
   47    46 S   O    _O1_    40     1.20903   134.54002     3.83946
   48    41 S   C4T  _C16    43     1.44683   125.96556   -17.55168
   49    48 S   HC   _H12    44     1.09737   112.43217   -74.19395
   50    45 S   CO4  _C14    71     1.36126   115.74804  -178.53727
   51    50 S   O    _O5_    72     1.22351   126.42177    -2.83987
   52    46 S   C4T  _C4_    41     1.55850    89.85955  -172.95413
   53    52 S   HC   _H4_    42     1.09623   113.15960  -121.02256
   54    48 S   S    _S2_    45     1.80939   109.45962    53.62845
   55    50 S   CT   _C18    73     1.49772   109.50685   176.98163
   56    55 S   HC   _H13    74     1.09264   109.65256   -64.68137
   57    55 S   HC   _H14    75     1.09373   109.39617   176.16651
   58    55 S   HC   _H15    76     1.09294   109.87361    57.28149
   59    33 S   CT   _C15    46     1.56306   106.65794    69.81684
   60    59 S   HC   _H10    47     1.09511   111.77980   -39.26261
   61    59 S   HC   _H11    48     1.09623   111.18296    79.04898
   62    52 S   N    _N4_    49     1.47821   114.29187   109.71084
   63    62 S   H    _H3_    50     1.01746   119.01239   -93.10714
   64    62 S   C    _C10    51     1.38527   122.60249    84.34011
   65    64 S   O    _O33    52     1.22913   124.76809     0.67753
   66    64 S   CT   _C11    53     1.51361   113.23548  -178.83601
   67    66 S   HC   _H8_    54     1.09608   110.05575   -36.41841
   68    66 S   HC   _H9_    55     1.09630   108.40606  -152.82832
   69    66 S   C5A  _C9_    56     1.49472   109.05687    87.05713
   70    69 S   C5B  _C7_    57     1.38101   128.22652    77.82706
   71    70 S   HA   _H6_    58     1.08298   123.36268    -0.09487
   72    70 S   C5B  _C6_    59     1.42448   112.37572  -179.56569
   73    72 S   HA   _H5_    60     1.08232   124.59382   179.57989
   74    72 S   C5A  _C8_    61     1.37652   112.00143    -0.26020
   75    74 S   HA   _H7_    62     1.08092   127.64718   179.85463
   76    69 S   SA   _S1_    63     1.71398   120.30796  -102.30385
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   7   9   4  10
   5   5   4   8   4   4   3   2   1   1   2   1   1   7   3   7
   4   8   4   3   7   6   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    59    60    61    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    59    60    61    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    59    60    61    42    43    44    38    39    40    45  
   39    40    45    50    51    55    41    42    54    59    60    61  
   40    45    50    59  
   45    50    59  
   46    47    52    53    48    49    54    59    62    42    43    44  
   43    44    46    48    59  
   44  
    0  
   50    51    55    56    57    58    59  
   47    52    53    48    49    54    62    63    64  
   52    53    48    62  
   49    54    59    60    61    62    63    64    52    53  
   54    59    62    52    53  
   51    55    56    57    58  
   55    56    57    58  
   53    54    59    62    63    64    65    66  
   54    62    63    64  
   59    60    61    62  
   56    57    58  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66    67    68    69    70    76  
   66    67    68    69  
   67    68    69    70    71    72    74    76  
   68    69    70    76  
   69    70    76  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73    74    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   76   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    59   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    62   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    59   222.000  1.810
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   434.000  1.010
   62    64   490.000  1.335
   64    65   570.000  1.229
   64    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   295.000  1.489
   69    70   520.000  1.370
   69    76   265.000  1.745
   70    71   367.000  1.080
   70    72   400.000  1.425
   72    73   367.000  1.080
   72    74   520.000  1.370
   74    75   367.000  1.080
   74    76   265.000  1.745
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    59    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    59    54    75.00000  111.63000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    62    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    62    63    38.00000  118.40000
   52    62    64    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    59    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   59    33    37    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    52    53    50.00000  112.01000
   62    52    48    80.00000  110.05700
   62    64    65    80.00000  122.90000
   62    64    66    70.00000  116.60000
   64    62    63    35.00000  119.80000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    70.00000  110.34000
   66    64    65    80.00000  120.40000
   66    69    70    55.00000  130.44200
   66    69    76    65.00000  123.52500
   68    66    67    33.00000  107.80000
   69    66    67    45.00000  110.47400
   69    66    68    45.00000  110.47400
   69    70    71    35.00000  128.20000
   69    70    72    75.00000  112.39000
   69    76    74   110.00000   90.41100
   70    72    73    35.00000  125.69000
   70    72    74    75.00000  112.39000
   72    70    71    35.00000  125.69000
   72    74    75    35.00000  130.70000
   72    74    76    80.00000  111.29200
   74    72    73    35.00000  128.20000
   76    69    70    80.00000  111.29200
   76    74    75    40.00000  122.38200
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    59    58.35000  112.70000
   38    45    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    55    81.00000  111.40000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   55    50    51    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    59    54   0.56750  1.0 1.0
   29    33    59    54  -0.07550 -1.0 2.0
   29    33    59    54   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.25900  1.0 1.0
   33    38    45    50  -0.47000 -1.0 2.0
   33    38    45    50   0.11750  1.0 3.0
   37    33    59    54   0.56750  1.0 1.0
   37    33    59    54  -0.07550 -1.0 2.0
   37    33    59    54   0.20000  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    62   0.00000  1.0 1.0
   41    48    54    59   0.01700  1.0 1.0
   41    48    54    59  -0.23550 -1.0 2.0
   41    48    54    59   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    62    63   0.00000  1.0 1.0
   46    52    62    64  -0.42300  1.0 1.0
   46    52    62    64  -0.07000 -1.0 2.0
   46    52    62    64   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    62   0.30150 -1.0 2.0
   52    48    54    59   0.25150  1.0 1.0
   52    48    54    59  -1.17200 -1.0 2.0
   52    48    54    59   0.53050  1.0 3.0
   52    62    64    65   3.04450 -1.0 2.0
   52    62    64    66   1.49850  1.0 1.0
   52    62    64    66   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    62    63   0.00000  1.0 1.0
   53    52    62    64   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64  -0.43950  1.0 1.0
   48    52    62    64  -0.08100 -1.0 2.0
   48    52    62    64   0.03350  1.0 3.0
   48    54   -59    33  -0.25000 -1.0 2.0
   48    54   -59    33  -0.01800  1.0 3.0
   48    54    59    60   0.32350  1.0 3.0
   48    54    59    61   0.32350  1.0 3.0
   49    48    54    59   0.00000  1.0 1.0
   59    33   -37    41  -0.93550  1.0 1.0
   59    33   -37    41   0.38900 -1.0 2.0
   59    33   -37    41   0.16950  1.0 3.0
   59    33    37    42   0.09850  1.0 1.0
   59    33    37    42   0.15250 -1.0 2.0
   59    33    37    42  -0.50650  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33    38    40   0.15000  1.0 3.0
   59    33    38    45   0.62750  1.0 1.0
   59    33    38    45  -0.30950 -1.0 2.0
   59    33    38    45   0.27300  1.0 3.0
   62    52   -48    41   2.20050  1.0 1.0
   62    52   -48    41   0.63450 -1.0 2.0
   62    52   -48    41  -0.91300  1.0 3.0
   62    52    48    49   0.15000  1.0 3.0
   62    52    48    54   0.00000  1.0 1.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    66    69   0.00000  1.0 1.0
   63    62    64    65   2.45000 -1.0 2.0
   63    62    64    66   2.45000 -1.0 2.0
   64    66    69    70   0.04300 -1.0 2.0
   64    66    69    76   0.04300 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    69   0.30150 -1.0 2.0
   66    69    70    71   3.62500 -1.0 2.0
   66    69    70    72   3.62500 -1.0 2.0
   66    69    76    74   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    76   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    76   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70   -72    74   3.62500 -1.0 2.0
   70    69   -76    74   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72   -74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    69   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   75    74    76    69   3.62500 -1.0 2.0
   76    69    70    71   3.62500 -1.0 2.0
   76    69   -70    72   3.62500 -1.0 2.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    59    54   0.44750  1.0 1.0
   38    33    59    54  -0.17800 -1.0 2.0
   38    33    59    54   0.20200  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    45    50    51   3.00000 -1.0 2.0
   38    45    50    55   1.63150  1.0 1.0
   38    45    50    55   2.92000 -1.0 2.0
   39    38    45    50   0.08050  1.0 3.0
   40    38    45    50   0.08050  1.0 3.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    57   0.00000  1.0 1.0
   45    50    55    58   0.00000  1.0 1.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    58   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   63    64    62    52   1.00000 -1.0 2.0
   62    66    64    65  10.50000 -1.0 2.0
   70    76    69    66   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
END
