* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    142    207     406
    1     0 S   NP   _N1_     1    29.18890    96.79161   -25.18304
    2     1 S   H    _HN1     2     1.02952    73.73673    -7.54267
    3     1 S   H    _H1_     3     1.02828    33.32337   172.42304
    4     1 S   H    _H2_     4     1.02786   119.29333  -109.82621
    5     1 S   CT   _CA1     5     1.50114   123.78043    96.45234
    6     5 S   HC   _HA1     6     1.09573   105.19641    93.95349
    7     5 S   CO3  _C1_     7     1.53792   112.48027   -26.28430
    8     7 S   O2Z  _O11     8     1.26372   115.00410   -41.91771
    9     7 S   O2Z  _O12     9     1.26241   114.94912   137.22983
   10     5 S   CT   _CB1    10     1.53080   107.42138  -148.04730
   11    10 S   HC   HB11    11     1.09833   109.37732   -49.59010
   12    10 S   HC   HB12    12     1.09815   110.43784    67.01937
   13    10 S   CT   _CG1    13     1.52989   112.61583  -170.57339
   14    13 S   HC   HG11    14     1.09582   110.61758   -65.51363
   15    13 S   HC   HG12    15     1.09668   109.80953    53.73424
   16    13 S   C    _CD1    16     1.51780   112.23148   174.18628
   17    16 S   O    _OE1    17     1.22729   123.29554     6.26366
   18    16 S   N    _N2_    18     1.38649   111.67951  -173.83563
   19    18 S   H    _HN2    19     1.01580   118.98690     1.71783
   20    18 S   CT1  _CA2    20     1.46092   123.36395   178.01614
   21    20 S   HC   _HA2    21     1.09559   109.32947     2.29780
   22    20 S   C    _C2_    22     1.53563   108.83262  -112.75742
   23    22 S   O    _O2_    23     1.23059   122.23494  -148.88343
   24    20 S   CT   _CB2    32     1.53282   111.66901   124.75610
   25    24 S   HC   HB21    33     1.09680   109.42930    62.57722
   26    24 S   HC   HB22    34     1.09518   111.05781   179.37442
   27    22 S   N    _N3_    24     1.38320   113.73536    38.62693
   28    27 S   H    _HN3    25     1.01582   119.57753    -3.41667
   29    24 S   S    _SG2    35     1.83105   114.83115   -56.72733
   30    27 S   CT   _CA3    26     1.45281   123.21713   177.04508
   31    30 S   HC   HA31    27     1.09550   107.53383   -64.01379
   32    30 S   HC   HA32    28     1.09556   107.96275    52.42647
   33    29 S   CT   _C16    36     1.82064   101.32305   -63.16687
   34    33 S   HC   _H3_    37     1.09477   110.68326    57.65712
   35    30 S   CO3  _C3_    29     1.52960   114.06485   174.40826
   36    35 S   O2Z  _O31    30     1.26377   116.05461    -0.51851
   37    35 S   O2Z  _O32    31     1.26424   114.41583   179.53270
   38    33 S   CM   _C10    38     1.48828   112.26087   -64.49695
   39    38 S   HC   _H28    39     1.09184   114.16379    86.99595
   40    38 S   CMA  _C11    40     1.35286   128.11052   -97.45531
   41    40 S   OM   _O20    41     1.26593   124.36424  -174.13031
   42    40 S   CA   _C5_    42     1.52403   113.94555     4.71019
   43    42 S   CA   _C6_    43     1.41207   120.28928   -22.65181
   44    43 S   CA   _C8_    44     1.40389   121.15292  -172.82239
   45    33 S   CO4  _C12    79     1.50862   108.26660   173.77902
   46    45 S   O    _O21    80     1.22885   121.77489   -88.27633
   47    44 S   CA   _C4_    45     1.39025   120.66680    -1.00093
   48    47 S   HA   _H27    46     1.08797   119.24308   179.21865
   49    44 S   OH   _O23    77     1.36969   123.62156   179.51908
   50    49 S   HO   _H46    78     0.97374   108.91144    -3.73397
   51    47 S   CA   _C7_    47     1.39865   120.56209    -1.55154
   52    42 S   CA   _C9_    48     1.42541   123.06598   160.08795
   53    51 S   CT   _C22    54     1.52121   119.47655  -179.67016
   54    53 S   HC   _H45    55     1.09648   111.21438  -170.44035
   55    52 S   OS   _O24    49     1.37889   120.75836    -6.70476
   56    53 S   CT   _C21    56     1.53980   111.15029    67.95228
   57    56 S   HC   _H43    57     1.09732   110.26457    48.51010
   58    56 S   HC   _H44    58     1.09497   110.84476   -68.37078
   59    53 S   OS   _O25    70     1.44972   109.05103   -50.41830
   60    55 S   CT   _C20    50     1.42965   110.46611   -85.88039
   61    60 S   HC   _H40    51     1.09406   107.72367   173.23062
   62    60 S   HC   _H41    52     1.09526   112.26106    54.42104
   63    60 S   HC   _H42    53     1.09417   110.81484   -68.90992
   64    56 S   CM   _C13    59     1.50664   111.46638   167.62785
   65    64 S   HC   _H29    60     1.08960   114.04911   -77.21873
   66    59 S   CO4  _C15    71     1.36204   117.58119   -88.63568
   67    66 S   O    _O22    72     1.22279   126.61156     0.13122
   68    64 S   CM   _C14    61     1.34664   127.77924   103.47796
   69    66 S   CT   _C19    73     1.49841   109.34570  -179.88131
   70    69 S   HC   _H37    74     1.09290   109.81166   -61.59375
   71    69 S   HC   _H38    75     1.09376   109.37472   179.31500
   72    69 S   HC   _H39    76     1.09301   109.81877    60.29273
   73    68 S   CT   _C17    62     1.50558   120.46293   178.82397
   74    73 S   HC   _H31    63     1.09496   110.27472   119.20955
   75    73 S   HC   _H32    64     1.09497   110.20967  -120.97096
   76    73 S   HC   _H33    65     1.09511   112.41152    -0.91450
   77    68 S   CT   _C18    66     1.50278   125.14926    -1.95975
   78    77 S   HC   _H34    67     1.09485   110.08913   115.61475
   79    77 S   HC   _H35    68     1.09209   113.58296    -5.39732
   80    77 S   HC   _H36    69     1.09542   110.01679  -125.08158
  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   8   4   8   3  11  10   9   4   1  10   4
   2   1  11   9  12   6   4   9   5   4   7   3   2   1   1  10
   3   5   4   8   3   2   1   1   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    43    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    52    45    46  
   40    41    42    45  
   41    42    43    44    51    52    55    45  
   42    43    52  
   43    44    47    51    52    55    60    53    49    45    46  
   44    47    48    51    52    55    49    50    45    46  
   47    48    51    52    53    49    50    45    46  
   46    47    49    52  
    0  
   48    51    52    55    53    54    56    59    49    50  
   51    52    53    49  
   50    51  
    0  
   52    55    60    53    54    56    57    58    64    59    66  
   55    60    61    62    63    53    54    56    59  
   54    56    57    58    64    65    68    59    66    67    69    55  
   56    57    58    64    59    66  
   60    61    62    63  
   57    58    64    65    68    73    77    59    66  
   58    64    65    68    59  
   64    65    68    59  
   66    67    69    70    71    72    64  
   61    62    63  
   62    63  
   63  
    0  
   65    68    73    74    75    76    77    78    79    80  
   68    73    77  
   67    69    70    71    72  
   69    70    71    72  
   73    74    75    76    77    78    79    80  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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    45   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    52   469.000  1.400
   43    44   469.000  1.400
   43    45   310.000  1.470
   44    47   469.000  1.400
   44    49   450.000  1.364
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   469.000  1.400
   51    53   317.000  1.510
   52    55   450.000  1.364
   55    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   317.000  1.510
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    73   317.000  1.510
   68    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   59    66   214.000  1.327
   66    67   570.000  1.229
   66    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   553.000  0.945
   45    46   570.000  1.229
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    45    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    65.00000  115.47100
   33    45    46    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    52    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    63.00000  120.00000
   42    43    45    60.00000  119.52600
   42    52    51    63.00000  120.00000
   42    52    55    70.00000  120.00000
   43    44    47    63.00000  120.00000
   43    44    49    70.00000  120.00000
   43    45    46    75.00000  123.78400
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   44    49    50    35.00000  113.00000
   47    51    52    63.00000  120.00000
   47    51    53    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    52    55    70.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    56    70.00000  112.17500
   51    53    59    85.00000  111.85700
   52    42    43    63.00000  120.00000
   52    55    60    75.00000  111.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   53    51    52    70.00000  120.00000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    64    70.00000  112.02700
   53    59    66    83.00000  116.90000
   56    53    54    37.50000  110.70000
   56    64    65    35.00000  117.00000
   56    64    68    70.00000  124.00000
   58    56    57    33.00000  107.80000
   64    56    57    35.00000  109.50000
   64    56    58    35.00000  109.50000
   64    68    73    70.00000  124.00000
   64    68    77    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   68    77    78    35.00000  109.50000
   68    77    79    35.00000  109.50000
   68    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    56    50.00000  109.50000
   59    66    67    83.00000  123.40000
   59    66    69    81.00000  111.40000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   69    66    67    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    44    47    70.00000  120.00000
   45    33    34    35.00000  109.50000
   45    33    38    70.00000  109.06800
   45    43    44    60.00000  119.52600
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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    43   0.65300  1.0 1.0
   29    33    45    43  -0.03850 -1.0 2.0
   29    33    45    43   0.33900  1.0 3.0
   29    33    45    46   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    43   0.00000  1.0 1.0
   34    33    45    46   0.00000  1.0 1.0
   38    33    45    43   0.65300  1.0 1.0
   38    33    45    43  -0.03850 -1.0 2.0
   38    33    45    43   0.33900  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    52   0.15800  1.0 1.0
   38    40    42    52   1.85350 -1.0 2.0
   38    40    42    52  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    52    51   3.62500 -1.0 2.0
   40    42    52    55   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    52  -0.01750  1.0 1.0
   41    40    42    52  -0.32000 -1.0 2.0
   41    40    42    52   0.00600  1.0 3.0
   42    43    44    47   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43   -45    33   2.26350  1.0 1.0
   42    43   -45    33   0.76750 -1.0 2.0
   42    43   -45    33   0.22500  1.0 3.0
   42    43    45    46   1.05000 -1.0 2.0
   42    52    55    60   1.63200 -1.0 2.0
   43    42    52    51   3.62500 -1.0 2.0
   43    42    52    55   3.62500 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   43    44   -47    51   3.62500 -1.0 2.0
   43    44    49    50   0.84100 -1.0 2.0
   44    43    45    33   2.26350  1.0 1.0
   44    43    45    33   0.76750 -1.0 2.0
   44    43    45    33   0.22500  1.0 3.0
   44    43    45    46   1.05000 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47    51    53   3.62500 -1.0 2.0
   47    44    49    50   0.84100 -1.0 2.0
   47    51   -52    42   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    53    54   0.00000  1.0 1.0
   47    51    53    56   0.04150 -1.0 2.0
   47    51    53    59   0.64500  1.0 1.0
   47    51    53    59   0.14800 -1.0 2.0
   47    51    53    59   0.20650  1.0 3.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   51    52    55    60   1.63200 -1.0 2.0
   51    53    56    57   0.43200  1.0 3.0
   51    53    56    58   0.43200  1.0 3.0
   51    53    56    64   0.21200  1.0 1.0
   51    53    56    64   0.16900 -1.0 2.0
   51    53    56    64  -1.15100  1.0 3.0
   51    53    59    66  -0.43900 -1.0 2.0
   51    53    59    66   0.14100  1.0 3.0
   52    42   -43    44   3.62500 -1.0 2.0
   52    42    43    45   3.62500 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    56   0.04150 -1.0 2.0
   52    51    53    59   0.64500  1.0 1.0
   52    51    53    59   0.14800 -1.0 2.0
   52    51    53    59   0.20650  1.0 3.0
   52    55    60    61   0.08050  1.0 3.0
   52    55    60    62   0.08050  1.0 3.0
   52    55    60    63   0.08050  1.0 3.0
   53    51    52    42   3.62500 -1.0 2.0
   53    51    52    55   3.62500 -1.0 2.0
   53    56    64    65   0.00000  1.0 1.0
   53    56    64    68   0.09850  1.0 1.0
   53    56    64    68   0.15250 -1.0 2.0
   53    56    64    68  -0.50650  1.0 3.0
   53    59    66    67   3.00000 -1.0 2.0
   53    59    66    69   1.63150  1.0 1.0
   53    59    66    69   2.92000 -1.0 2.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    64   0.15000  1.0 3.0
   54    53    59    66   0.08050  1.0 3.0
   56    53    59    66  -0.25900  1.0 1.0
   56    53    59    66  -0.47000 -1.0 2.0
   56    53    59    66   0.11750  1.0 3.0
   56    64    68    73   7.00000 -1.0 2.0
   56    64    68    77   7.00000 -1.0 2.0
   57    56    64    65   0.33100  1.0 3.0
   57    56    64    68   0.00000  1.0 1.0
   58    56    64    65   0.33100  1.0 3.0
   58    56    64    68   0.00000  1.0 1.0
   64    68    73    74   0.00000  1.0 1.0
   64    68    73    75   0.00000  1.0 1.0
   64    68    73    76   0.00000  1.0 1.0
   64    68    77    78   0.00000  1.0 1.0
   64    68    77    79   0.00000  1.0 1.0
   64    68    77    80   0.00000  1.0 1.0
   65    64    68    73   7.00000 -1.0 2.0
   65    64    68    77   7.00000 -1.0 2.0
   73    68    77    78   0.34800  1.0 3.0
   73    68    77    79   0.34800  1.0 3.0
   73    68    77    80   0.34800  1.0 3.0
   77    68    73    74   0.34800  1.0 3.0
   77    68    73    75   0.34800  1.0 3.0
   77    68    73    76   0.34800  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    64   0.61850  1.0 1.0
   59    53    56    64  -0.22750 -1.0 2.0
   59    53    56    64   0.15300  1.0 3.0
   59    66    69    70   0.00000  1.0 1.0
   59    66    69    71   0.00000  1.0 1.0
   59    66    69    72   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   49    44    47    48   3.62500 -1.0 2.0
   49    44    47    51   3.62500 -1.0 2.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40  -0.51250  1.0 1.0
   45    33   -38    40  -0.88800 -1.0 2.0
   45    33   -38    40   0.08850  1.0 3.0
   45    43    44    47   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    52    42    40   4.00000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   47    49    44    43   4.00000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   52    53    51    47   4.00000 -1.0 2.0
   51    55    52    42   4.00000 -1.0 2.0
   56    65    64    68  15.00000 -1.0 2.0
   73    77    68    64  15.00000 -1.0 2.0
   59    69    66    67  10.50000 -1.0 2.0
   33    43    45    46  10.50000 -1.0 2.0
END
