* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    144    205     419
    1     0 S   NP   _N1_     1    31.18663    93.50147   -27.25803
    2     1 S   H    _HN1     2     1.03360   144.25367   -62.50921
    3     1 S   H    _H1_     3     1.02854    62.11978    19.97756
    4     1 S   H    _H2_     4     1.02755    52.09883  -127.27739
    5     1 S   CT   _CA1     5     1.50044   103.60442   126.54417
    6     5 S   HC   _HA1     6     1.09560   104.96867   112.79410
    7     5 S   CO3  _C1_     7     1.53680   113.09860    -7.67399
    8     7 S   O2Z  _O11     8     1.26402   115.08380   -35.46295
    9     7 S   O2Z  _O12     9     1.26257   115.01252   143.82857
   10     5 S   CT   _CB1    10     1.53001   107.41760  -128.94819
   11    10 S   HC   HB11    11     1.09625   109.32211   -43.63903
   12    10 S   HC   HB12    12     1.09810   110.71046    72.72844
   13    10 S   CT   _CG1    13     1.53083   112.74393  -164.69819
   14    13 S   HC   HG11    14     1.09530   110.82865   -76.72509
   15    13 S   HC   HG12    15     1.09670   109.82024    42.74030
   16    13 S   C    _CD1    16     1.51780   111.25179   162.71184
   17    16 S   O    _OE1    17     1.22761   122.79046    19.01748
   18    16 S   N    _N2_    18     1.38502   112.13747  -160.59284
   19    18 S   H    _HN2    19     1.01650   119.10649    -3.39938
   20    18 S   CT1  _CA2    20     1.46136   123.20482   172.18699
   21    20 S   HC   _HA2    21     1.09713   109.12712   -13.65604
   22    20 S   C    _C2_    22     1.53535   107.88921  -128.31224
   23    22 S   O    _O2_    23     1.23010   122.46516  -146.86723
   24    20 S   CT   _CB2    32     1.53299   112.47975   108.67046
   25    24 S   HC   HB21    33     1.09547   110.77589    50.82949
   26    24 S   HC   HB22    34     1.09235   109.32403   169.81493
   27    22 S   N    _N3_    24     1.38589   113.27634    40.57454
   28    27 S   H    _HN3    25     1.01465   118.84380    -7.07984
   29    24 S   S    _SG2    35     1.82568   111.20233   -70.25215
   30    27 S   CT   _CA3    26     1.45346   123.14668  -179.80021
   31    30 S   HC   HA31    27     1.09479   107.16281  -152.63554
   32    30 S   HC   HA32    28     1.09539   108.71858   -35.48972
   33    29 S   CT   _C5_    36     1.84560   100.53293  -168.50609
   34    33 S   HC   _H3_    37     1.09630   106.96134   -45.65555
   35    30 S   CO3  _C3_    29     1.53104   113.88435    87.19024
   36    35 S   O2Z  _O31    30     1.26357   116.05850    24.58093
   37    35 S   O2Z  _O32    31     1.26459   114.51305  -156.06110
   38    33 S   CT   _C4_    38     1.53079   110.27689    71.18220
   39    38 S   HC   _H5_    39     1.09411   112.44202    52.98394
   40    38 S   HC   _H6_    40     1.09570   110.48721   173.64803
   41    38 S   HC   _H7_    41     1.09400   111.70137   -68.23917
   42    33 S   CT1  _C6_    42     1.55151   111.11277  -164.49087
   43    42 S   HC   _H4_    43     1.09844   108.78204  -169.99356
   44    42 S   CO3  _C7_    44     1.54759   109.07842    74.87749
   45    44 S   O2Z  _O34    45     1.26503   114.90660    66.37050
   46    44 S   O2Z  _O33    46     1.26433   115.83956  -114.50813
   47    42 S   N    _N4_    47     1.46674   113.46637   -51.29585
   48    47 S   H    _H8_    48     1.01576   115.87280    94.25270
   49    47 S   C    _C8_    49     1.37996   124.62722   -86.18909
   50    49 S   O    _O35    50     1.22904   125.24110    -2.61299
   51    49 S   CT   _C9_    51     1.51665   113.39303   179.00613
   52    51 S   HC   _H9_    52     1.09669   107.75487    60.85148
   53    51 S   HC   _H10    53     1.09640   108.29255   176.20228
   54    51 S   CT   _C10    54     1.52990   114.29019   -60.96414
   55    54 S   HC   _H11    55     1.09693   107.99509   176.68034
   56    54 S   HC   _H12    56     1.09490   109.88748    60.66715
   57    54 S   CT   _C11    57     1.53249   113.02516   -62.40378
   58    57 S   HC   _H13    58     1.09702   109.08620   -48.30703
   59    57 S   HC   _H14    59     1.09551   110.09777    68.61722
   60    57 S   CT   _C12    60     1.53429   113.24016  -168.57073
   61    60 S   HC   _H15    61     1.09693   109.07913    57.44875
   62    60 S   HC   _H16    62     1.09621   107.90682   172.99285
   63    60 S   CT   _C13    63     1.53349   113.72365   -65.35356
   64    63 S   HC   _H17    64     1.09576   109.17439    55.73502
   65    63 S   HC   _H18    65     1.09568   109.91257   -60.73676
   66    63 S   CT   _C14    66     1.53106   113.12188   174.60657
   67    66 S   HC   _H19    67     1.09513   110.02991  -166.95618
   68    66 S   HC   _H20    68     1.09561   109.49817   -50.37991
   69    66 S   S    _S1_    69     1.82499   114.26829    70.07831
   70    69 S   S    _S2_    70     2.05804   102.70783    78.05677
   71    70 S   CT   _C15    71     1.82257   101.64645    82.56706
   72    71 S   HC   _H21    72     1.09449   109.26950   -54.67193
   73    71 S   HC   _H22    73     1.09472   108.89039    63.46867
   74    71 S   CT   _C16    74     1.52173   109.91643  -175.39198
   75    74 S   HC   _H23    75     1.09492   111.12418    61.94865
   76    74 S   HC   _H24    76     1.09596   111.51549   -59.27600
   77    74 S   SY   _S3_    77     1.78363   112.13147  -178.83232
   78    77 S   OY   _O38    78     1.46085   103.49613    63.40340
   79    77 S   OY   _O36    79     1.46135   102.83814  -176.67174
   80    77 S   OY   _O37    80     1.46216   103.95765   -57.11911
  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  10   5   4   3
  13   8   2   1   1   7   3   2   1   9   6   5   2   1   7   3
   8   4   9   5   4   9   5   4   9   5   4   9   5   4   7   5
   4   5   3   2   5   7   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    49  
   38    39    40    41    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    48    49    50    51  
   44    45    46    47    48    49  
   45    46    47    48    49  
   46    47  
   47  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51    52    53    54    55    56    57  
   51    52    53    54  
   52    53    54    55    56    57    58    59    60  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57    58    59    60    61    62    63  
   56    57    58    59    60  
   57    58    59    60  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70    71    72    73    74  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80  
   76    77    78    79    80  
   77    78    79    80  
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.097500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   70   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   71   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.544400   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   79   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   80   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    47   337.000  1.449
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   434.000  1.010
   47    49   490.000  1.335
   49    50   570.000  1.229
   49    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   222.000  1.810
   69    70   166.000  2.038
   70    71   222.000  1.810
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   205.000  1.840
   77    78   735.000  1.471
   77    79   735.000  1.471
   77    80   735.000  1.471
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  111.63000
   29    33    42    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    47    80.00000  109.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    70.00000  117.00000
   42    44    46    70.00000  117.00000
   42    47    48    38.00000  118.40000
   42    47    49    50.00000  121.90000
   44    42    43    35.00000  109.50000
   46    44    45    80.00000  126.00000
   47    42    43    35.00000  109.50000
   47    42    44    63.00000  110.10000
   47    49    50    80.00000  122.90000
   47    49    51    70.00000  116.60000
   49    47    48    35.00000  119.80000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    54    63.00000  111.10000
   51    49    50    80.00000  120.40000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    75.00000  111.63000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    68.00000  103.70000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    70    71    68.00000  103.70000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    75.00000  111.63000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    75.00000  110.51500
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78   100.00000  108.55000
   74    77    79   100.00000  108.55000
   74    77    80   100.00000  108.55000
   76    74    75    33.00000  107.80000
   77    74    75    45.00000  108.39800
   77    74    76    45.00000  108.39800
   79    77    78   115.00000  120.17200
   80    77    78   115.00000  120.17200
   80    77    79   115.00000  120.17200
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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44  -2.17200  1.0 1.0
   29    33    42    44  -0.85700 -1.0 2.0
   29    33    42    47   0.71400  1.0 1.0
   29    33    42    47   0.04300 -1.0 2.0
   29    33    42    47   0.01450  1.0 3.0
   33    42    44    45   0.00000  1.0 1.0
   33    42    44    46   0.00000  1.0 1.0
   33    42    47    48   0.00000  1.0 1.0
   33    42    47    49   0.25950  1.0 1.0
   33    42    47    49   0.43850 -1.0 2.0
   33    42    47    49   2.61650  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.03800  1.0 3.0
   34    33    42    47   0.23200  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.84850  1.0 1.0
   38    33    42    44  -0.22800 -1.0 2.0
   38    33    42    44   0.29250  1.0 3.0
   38    33    42    47   0.42250  1.0 1.0
   38    33    42    47  -0.48100 -1.0 2.0
   38    33    42    47   0.35650  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    47    49    50   3.04450 -1.0 2.0
   42    47    49    51   1.15000  1.0 1.0
   42    47    49    51   3.04450 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    49  -0.29800  1.0 1.0
   44    42    47    49   0.13950 -1.0 2.0
   44    42    47    49  -2.45650  1.0 3.0
   47    42    44    45   0.00000  1.0 1.0
   47    42    44    46   0.00000  1.0 1.0
   47    49    51    52   0.00000  1.0 1.0
   47    49    51    53   0.00000  1.0 1.0
   47    49    51    54   1.39750  1.0 1.0
   47    49    51    54  -0.07950 -1.0 2.0
   47    49    51    54  -0.18750  1.0 3.0
   48    47    49    50   2.45000 -1.0 2.0
   48    47    49    51   2.45000 -1.0 2.0
   49    51    54    55  -0.11250  1.0 3.0
   49    51    54    56  -0.11250  1.0 3.0
   49    51    54    57  -0.95700  1.0 1.0
   49    51    54    57  -0.18200 -1.0 2.0
   49    51    54    57   0.29450  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    54   0.30150 -1.0 2.0
   51    54    57    58   0.15000  1.0 3.0
   51    54    57    59   0.15000  1.0 3.0
   51    54    57    60   0.56750  1.0 1.0
   51    54    57    60  -0.07550 -1.0 2.0
   51    54    57    60   0.20000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62   0.15000  1.0 3.0
   54    57    60    63   0.56750  1.0 1.0
   54    57    60    63  -0.07550 -1.0 2.0
   54    57    60    63   0.20000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.56750  1.0 1.0
   57    60    63    66  -0.07550 -1.0 2.0
   57    60    63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.44750  1.0 1.0
   60    63    66    69  -0.17800 -1.0 2.0
   60    63    66    69   0.20200  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    69    70   0.09450  1.0 1.0
   63    66    69    70  -0.17100 -1.0 2.0
   63    66    69    70   0.39100  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71  -3.49700 -1.0 2.0
   66    69    70    71   0.74750  1.0 3.0
   67    66    69    70   0.24000  1.0 3.0
   68    66    69    70   0.24000  1.0 3.0
   69    70    71    72   0.24000  1.0 3.0
   69    70    71    73   0.24000  1.0 3.0
   69    70    71    74   0.09450  1.0 1.0
   69    70    71    74  -0.17100 -1.0 2.0
   69    70    71    74   0.39100  1.0 3.0
   70    71    74    75   0.15000  1.0 3.0
   70    71    74    76   0.15000  1.0 3.0
   70    71    74    77   0.56750  1.0 1.0
   70    71    74    77  -0.07550 -1.0 2.0
   70    71    74    77   0.20000  1.0 3.0
   71    74    77    78  -0.82900  1.0 1.0
   71    74    77    78   0.81700 -1.0 2.0
   71    74    77    78  -0.10400  1.0 3.0
   71    74    77    79  -0.82900  1.0 1.0
   71    74    77    79   0.81700 -1.0 2.0
   71    74    77    79  -0.10400  1.0 3.0
   71    74    77    80  -0.82900  1.0 1.0
   71    74    77    80   0.81700 -1.0 2.0
   71    74    77    80  -0.10400  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   75    74    77    78   0.26000  1.0 3.0
   75    74    77    79   0.26000  1.0 3.0
   75    74    77    80   0.26000  1.0 3.0
   76    74    77    78   0.26000  1.0 3.0
   76    74    77    79   0.26000  1.0 3.0
   76    74    77    80   0.26000  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
   45    42    44    46  10.50000 -1.0 2.0
   48    49    47    42   1.00000 -1.0 2.0
   47    51    49    50  10.50000 -1.0 2.0
END
