* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    150    226     436
    1     0 S   NP   _N1_     1    28.47210    95.00152   -20.47262
    2     1 S   H    _HN1     2     1.02756    80.55960  -101.30842
    3     1 S   H    _H1_     3     1.02967    92.94104     6.89370
    4     1 S   H    _H2_     4     1.02833    37.31282   121.29487
    5     1 S   CT   _CA1     5     1.50029   146.63032   142.05688
    6     5 S   HC   _HA1     6     1.09542   105.44335    46.19891
    7     5 S   CO3  _C1_     7     1.53840   112.27128   -74.59048
    8     7 S   O2Z  _O11     8     1.26361   114.72403   -41.53714
    9     7 S   O2Z  _O12     9     1.26251   114.95421   137.87992
   10     5 S   CT   _CB1    10     1.53133   107.63943   164.82855
   11    10 S   HC   HB11    11     1.09808   109.97122   -47.56554
   12    10 S   HC   HB12    12     1.09829   110.10828    69.14840
   13    10 S   CT   _CG1    13     1.52995   112.37450  -168.51904
   14    13 S   HC   HG11    14     1.09571   110.53510   -53.66104
   15    13 S   HC   HG12    15     1.09620   110.06610    65.49149
   16    13 S   C    _CD1    16     1.51686   112.43068  -173.56712
   17    16 S   O    _OE1    17     1.22686   123.39298    -7.16177
   18    16 S   N    _N2_    18     1.38604   111.36565   172.34983
   19    18 S   H    _HN2    19     1.01578   118.99769     4.76703
   20    18 S   CT1  _CA2    20     1.46140   123.48315  -173.68143
   21    20 S   HC   _HA2    21     1.09716   109.51444    -5.67364
   22    20 S   C    _C2_    22     1.53315   108.64222  -121.82655
   23    22 S   O    _O2_    23     1.23022   122.18563  -144.64695
   24    20 S   CT   _CB2    32     1.53446   110.77769   115.99394
   25    24 S   HC   HB21    33     1.09605   109.60065    57.79371
   26    24 S   HC   HB22    34     1.09498   110.55070   176.62664
   27    22 S   N    _N3_    24     1.38488   113.42750    42.62441
   28    27 S   H    _HN3    25     1.01517   118.94565    -0.41117
   29    24 S   S    _SG2    35     1.83029   111.57424   -63.20148
   30    27 S   CT   _CA3    26     1.45447   123.39584   175.24531
   31    30 S   HC   HA31    27     1.09526   109.19526    25.32729
   32    30 S   HC   HA32    28     1.09495   107.13402   142.31217
   33    29 S   CT   _C7_    36     1.83333    99.50714   158.40886
   34    33 S   HC   _H3_    37     1.09588   107.10376   -51.22374
   35    30 S   CO3  _C3_    29     1.52922   113.13460   -98.12780
   36    35 S   O2Z  _O31    30     1.26400   115.40341   -44.87479
   37    35 S   O2Z  _O32    31     1.26357   114.98613   136.07518
   38    33 S   CO4  _C6_    38     1.51818   109.75766    67.05799
   39    38 S   O    _O34    39     1.22387   125.63493    34.23895
   40    33 S   CT   _C8_    48     1.53596   111.34576  -172.38076
   41    40 S   HC   _H9_    49     1.09895   110.34264   -55.74967
   42    40 S   HC   _H10    50     1.09931   109.52260  -170.29572
   43    38 S   OS   _O33    40     1.36721   109.02421  -147.60688
   44    40 S   CA   _C9_    51     1.51075   114.53249    69.30812
   45    43 S   CT   _C5_    41     1.43506   115.46604  -179.16163
   46    45 S   HC   _H7_    42     1.09551   109.52980   -59.75177
   47    45 S   HC   _H8_    43     1.09548   109.50250    60.56894
   48    44 S   CA   _C10    52     1.40102   120.68793    68.81107
   49    48 S   HA   _H11    53     1.08753   120.22509    -0.98318
   50    45 S   CT   _C4_    44     1.51560   108.22131  -179.60435
   51    50 S   HC   _H4_    45     1.09503   110.60737   -59.09585
   52    50 S   HC   _H5_    46     1.09503   110.60673    59.13615
   53    50 S   HC   _H6_    47     1.09354   110.91273  -180.00000
   54    48 S   CA   _C11    54     1.39956   120.84595   178.45300
   55    54 S   HA   _H12    55     1.08534   117.95876   179.85329
   56    54 S   CA   _C12    56     1.39528   120.18485    -0.44631
   57    56 S   CA   _C13    57     1.39788   119.12018     1.44239
   58    57 S   HA   _H13    58     1.08753   119.99906   179.15628
   59    56 S   OS   _O35    61     1.36898   125.98159  -178.34542
   60    44 S   CA   _C14    59     1.39907   120.61602  -112.08380
   61    60 S   HA   _H14    60     1.08712   120.52095     1.28268
   62    59 S   CT   _C15    62     1.43099   117.33159     6.54308
   63    62 S   HC   _H15    63     1.09843   109.46641    51.34717
   64    62 S   HC   _H16    64     1.09686   109.35249   -67.63360
   65    62 S   CT   _C16    65     1.55681   109.86889   170.28847
   66    65 S   CA   _C19    66     1.54067   110.40079    66.48002
   67    65 S   CT   _C17    77     1.54870   108.44312   -58.43039
   68    67 S   HC   _H17    78     1.09664   110.93712   -58.00440
   69    67 S   HC   _H18    79     1.09564   112.31245    61.53642
   70    67 S   HC   _H19    80     1.09648   111.37039  -177.37856
   71    65 S   CT   _C18    81     1.54823   108.50048  -173.69752
   72    71 S   HC   _H20    82     1.09648   111.10995    63.66179
   73    71 S   HC   _H21    83     1.09526   112.35940   -55.85657
   74    71 S   HC   _H22    84     1.09653   111.14247  -176.50470
   75    66 S   CA   _C20    67     1.40557   122.67247  -114.81787
   76    75 S   HA   _H23    68     1.08578   121.47589     0.45024
   77    75 S   CA   _C21    69     1.39962   121.35423  -179.65226
   78    77 S   HA   _H24    70     1.08644   119.71611   179.92598
   79    77 S   CA   _C22    71     1.39057   120.33830    -0.05935
   80    79 S   HA   _H25    72     1.08551   120.21443   179.83214
   81    79 S   CA   _C23    73     1.38963   119.53272    -0.29805
   82    81 S   HA   _H26    74     1.08616   120.12764  -179.45824
   83    66 S   CA   _C24    75     1.40915   120.24513    64.97551
   84    83 S   HA   _H27    76     1.08732   120.62564    -1.10216
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  11   7   2   1   1  10   3  10   4   3   7   9   6   5   4   8
   4   3   2   1   1   7   3   9   5   3   8   1   1  14   5   4
  15  17   9   3   2   1   5   2   1   1   8   4   6   3   5   3
   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    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    40    41    42    44    48    60  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    45    46    47    50    40    41    42    44  
   43    45    40  
   41    42    44    48    49    54    57    60    61    43  
   42    44    48    60  
   44    48    60  
   45    46    47    50    51    52    53  
   48    49    54    55    56    57    58    60    61  
   46    47    50    51    52    53  
   47    50    51    52    53  
   50    51    52    53  
   49    54    55    56    57    60    61    59  
   54    55    56    60  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    60    59    62  
   56    57    59  
   57    58    60    61    59    62    63    64    65  
   58    60    61    59    62  
   60    61    59  
   62    63    64    65    66    67    71    60  
   61  
    0  
   63    64    65    66    75    83    67    68    69    70    71    72    73    74  
   64    65    66    67    71  
   65    66    67    71  
   66    75    76    77    81    83    84    67    68    69    70    71    72    73    74  
   75    76    77    78    79    81    82    83    84    67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74    75    83  
   69    70    71  
   70    71  
   71  
   72    73    74    75    83  
   73    74  
   74  
    0  
   76    77    78    79    80    81    83    84  
   77    78    79    83  
   78    79    80    81    82    83  
   79    80    81  
   80    81    82    83    84  
   81    82    83  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   214.000  1.327
   43    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.510
   44    48   469.000  1.400
   44    60   469.000  1.400
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   450.000  1.364
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    61   367.000  1.080
   59    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   317.000  1.510
   65    67   268.000  1.529
   65    71   268.000  1.529
   66    75   469.000  1.400
   66    83   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    43    45    83.00000  116.90000
   43    38    39    83.00000  123.40000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    50    50.00000  109.50000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    48    70.00000  120.00000
   40    44    60    70.00000  120.00000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    48    49    35.00000  120.00000
   44    48    54    63.00000  120.00000
   44    60    57    63.00000  120.00000
   44    60    61    35.00000  120.00000
   48    54    55    35.00000  120.00000
   48    54    56    63.00000  120.00000
   54    48    49    35.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    70.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    60    63.00000  120.00000
   56    59    62    75.00000  111.00000
   57    60    61    35.00000  120.00000
   60    44    48    63.00000  120.00000
   60    57    58    35.00000  120.00000
   59    56    57    70.00000  120.00000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    50.00000  109.50000
   62    65    66    70.00000  112.17500
   62    65    67    58.35000  112.70000
   62    65    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    66    75    70.00000  120.00000
   65    66    83    70.00000  120.00000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   66    75    76    35.00000  120.00000
   66    75    77    63.00000  120.00000
   66    83    81    63.00000  120.00000
   66    83    84    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   83    66    75    63.00000  120.00000
   83    81    82    35.00000  120.00000
   67    65    66    70.00000  112.17500
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    65    66    70.00000  112.17500
   71    65    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    45   1.63150  1.0 1.0
   33    38    43    45   2.92000 -1.0 2.0
   33    40    44    48   0.04150 -1.0 2.0
   33    40    44    60   0.04150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44   0.43200  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    43    45    46   0.08050  1.0 3.0
   38    43    45    47   0.08050  1.0 3.0
   38    43    45    50  -0.25900  1.0 1.0
   38    43    45    50  -0.47000 -1.0 2.0
   38    43    45    50   0.11750  1.0 3.0
   39    38    43    45   3.00000 -1.0 2.0
   43    45    50    51   0.23400  1.0 3.0
   43    45    50    52   0.23400  1.0 3.0
   43    45    50    53   0.23400  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    53   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    53   0.15000  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.36750  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    54   3.62500 -1.0 2.0
   40    44    60    57   3.62500 -1.0 2.0
   40    44    60    61   3.62500 -1.0 2.0
   41    40    44    48   0.00000  1.0 1.0
   41    40    44    60   0.00000  1.0 1.0
   42    40    44    48   0.00000  1.0 1.0
   42    40    44    60   0.00000  1.0 1.0
   44    48    54    55   3.62500 -1.0 2.0
   44    48    54    56   3.62500 -1.0 2.0
   48    44    60    57   3.62500 -1.0 2.0
   48    44    60    61   3.62500 -1.0 2.0
   48    54   -56    57   3.62500 -1.0 2.0
   48    54    56    59   3.62500 -1.0 2.0
   49    48    54    55   3.62500 -1.0 2.0
   49    48    54    56   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56    57    60   3.62500 -1.0 2.0
   54    56    59    62   1.63200 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57   -60    44   3.62500 -1.0 2.0
   56    57    60    61   3.62500 -1.0 2.0
   56    59    62    63   0.08050  1.0 3.0
   56    59    62    64   0.08050  1.0 3.0
   56    59    62    65  -0.32850  1.0 1.0
   56    59    62    65  -0.35800 -1.0 2.0
   56    59    62    65   0.33950  1.0 3.0
   57    56    59    62   1.63200 -1.0 2.0
   58    57    60    44   3.62500 -1.0 2.0
   58    57    60    61   3.62500 -1.0 2.0
   60    44    48    49   3.62500 -1.0 2.0
   60    44   -48    54   3.62500 -1.0 2.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    60   3.62500 -1.0 2.0
   59    62    65    66  -0.64350  1.0 1.0
   59    62    65    66  -0.04200 -1.0 2.0
   59    62    65    66   0.19800  1.0 3.0
   59    62    65    67   0.62750  1.0 1.0
   59    62    65    67  -0.30950 -1.0 2.0
   59    62    65    67   0.27300  1.0 3.0
   59    62    65    71   0.62750  1.0 1.0
   59    62    65    71  -0.30950 -1.0 2.0
   59    62    65    71   0.27300  1.0 3.0
   62    65    66    75   0.04150 -1.0 2.0
   62    65    66    83   0.04150 -1.0 2.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.15000  1.0 3.0
   62    65    67    70   0.15000  1.0 3.0
   62    65    71    72   0.15000  1.0 3.0
   62    65    71    73   0.15000  1.0 3.0
   62    65    71    74   0.15000  1.0 3.0
   63    62    65    66   0.43200  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    71   0.15000  1.0 3.0
   64    62    65    66   0.43200  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    71   0.15000  1.0 3.0
   65    66    75    76   3.62500 -1.0 2.0
   65    66    75    77   3.62500 -1.0 2.0
   65    66    83    81   3.62500 -1.0 2.0
   65    66    83    84   3.62500 -1.0 2.0
   66    65    67    68   0.43200  1.0 3.0
   66    65    67    69   0.43200  1.0 3.0
   66    65    67    70   0.43200  1.0 3.0
   66    65    71    72   0.43200  1.0 3.0
   66    65    71    73   0.43200  1.0 3.0
   66    65    71    74   0.43200  1.0 3.0
   66    75    77    78   3.62500 -1.0 2.0
   66    75    77    79   3.62500 -1.0 2.0
   75    66    83    81   3.62500 -1.0 2.0
   75    66    83    84   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77   -79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   77    79    81    83   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81   -83    66   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   82    81    83    66   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    66    75    76   3.62500 -1.0 2.0
   83    66   -75    77   3.62500 -1.0 2.0
   67    65    66    75   0.04150 -1.0 2.0
   67    65    66    83   0.04150 -1.0 2.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    74   0.15000  1.0 3.0
   71    65    66    75   0.04150 -1.0 2.0
   71    65    66    83   0.04150 -1.0 2.0
   71    65    67    68   0.15000  1.0 3.0
   71    65    67    69   0.15000  1.0 3.0
   71    65    67    70   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   48    60    44    40   4.00000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   56    55    54    48   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   60    58    57    56   1.10000 -1.0 2.0
   57    61    60    44   1.10000 -1.0 2.0
   75    83    66    65   4.00000 -1.0 2.0
   77    76    75    66   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    84    83    66   1.10000 -1.0 2.0
END
