* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    143    221     419
    1     0 S   NP   _N1_     1    28.49414    92.43492   -21.40070
    2     1 S   H    _HN1     2     1.02962    91.72541    71.04964
    3     1 S   H    _H1_     3     1.02839    19.22271  -145.55963
    4     1 S   H    _H2_     4     1.02779   102.94782   -38.16387
    5     1 S   CT   _CA1     5     1.50069   128.46026  -170.97997
    6     5 S   HC   _HA1     6     1.09607   105.21512    67.62493
    7     5 S   CO3  _C1_     7     1.53719   112.58165   -52.46277
    8     7 S   O2Z  _O11     8     1.26347   114.98887   -43.41146
    9     7 S   O2Z  _O12     9     1.26256   114.88653   135.88443
   10     5 S   CT   _CB1    10     1.53098   107.44859  -174.67608
   11    10 S   HC   HB11    11     1.09783   108.94012   -53.35076
   12    10 S   HC   HB12    12     1.09801   110.66571    63.10795
   13    10 S   CT   _CG1    13     1.52922   112.49581  -174.68566
   14    13 S   HC   HG11    14     1.09589   110.44832   -69.37310
   15    13 S   HC   HG12    15     1.09446   109.66075    49.76625
   16    13 S   C    _CD1    16     1.51601   112.78146   169.24311
   17    16 S   O    _OE1    17     1.22689   123.06548    -3.96260
   18    16 S   N    _N2_    18     1.38539   111.60548   177.14501
   19    18 S   H    _HN2    19     1.01718   118.81303    -2.47631
   20    18 S   CT1  _CA2    20     1.45845   123.56390   174.55795
   21    20 S   HC   _HA2    21     1.09480   108.50363   -30.20928
   22    20 S   C    _C2_    22     1.52580   105.56858  -147.43612
   23    22 S   O    _O2_    23     1.22995   122.34920   -43.69371
   24    20 S   CT   _CB2    32     1.53440   113.22767    94.20669
   25    24 S   HC   HB21    33     1.09628   110.15617    46.12826
   26    24 S   HC   HB22    34     1.09610   110.62028   163.80178
   27    22 S   N    _N3_    24     1.38251   113.06046   137.86340
   28    27 S   H    _HN3    25     1.01659   120.51944     0.30001
   29    24 S   S    _SG2    35     1.82437   113.77347   -74.40464
   30    27 S   CT   _CA3    26     1.45330   122.36397  -179.18052
   31    30 S   HC   HA31    27     1.09553   107.43115   -66.29629
   32    30 S   HC   HA32    28     1.09580   108.03217    50.09423
   33    29 S   C    _C17    36     1.75998    98.65284   -67.15736
   34    33 S   O    _O35    37     1.22235   121.81304   -64.02279
   35    30 S   CO3  _C3_    29     1.52866   114.30948   172.07115
   36    35 S   O2Z  _O31    30     1.26329   116.06046    -1.14722
   37    35 S   O2Z  _O32    31     1.26435   114.39419   178.91809
   38    33 S   N    _N4_    38     1.37999   110.05187   115.49400
   39    38 S   H    _H18    39     1.01579   116.14378     1.39690
   40    38 S   C    _C16    40     1.39357   125.00896  -172.48665
   41    40 S   O    _O34    41     1.23023   124.49383    -4.22021
   42    40 S   CT   _C15    42     1.53485   112.38833   174.94356
   43    42 S   SM   _S1_    43     1.84061   107.53968   111.43383
   44    42 S   HC   _H3_    44     1.09689   109.52579    -9.24592
   45    42 S   CT   _C14    45     1.54174   110.44133  -129.11033
   46    45 S   HC   _H16    46     1.09929   111.26514  -164.84303
   47    45 S   HC   _H17    47     1.09894   111.75194   -47.18076
   48    45 S   CA   _C11    48     1.51468   111.57879    75.08855
   49    48 S   CA   _C10    49     1.39859   120.96045   -92.36255
   50    49 S   HA   _H13    50     1.08734   120.54553    -1.67830
   51    49 S   CA   _C9_    51     1.39651   120.30307   177.72634
   52    51 S   HA   _H12    52     1.08747   119.18319  -179.74589
   53    51 S   CA   _C8_    53     1.39800   120.70961     0.02798
   54    53 S   CA   _C13    54     1.39495   119.22050     0.56197
   55    54 S   HA   _H15    55     1.08493   122.00315  -179.89165
   56    53 S   OS   _O33    58     1.36787   114.89586  -178.72252
   57    48 S   CA   _C12    56     1.40116   120.18424    85.73406
   58    57 S   HA   _H14    57     1.08754   120.07847     1.34494
   59    56 S   CT   _C7_    59     1.43116   117.39310  -174.37489
   60    59 S   HC   _H10    60     1.09818   109.02199    59.41531
   61    59 S   HC   _H11    61     1.09706   109.91502   -59.76731
   62    59 S   CT   _C5_    62     1.55500   109.62302   179.00064
   63    62 S   CA   _C18    63     1.54137   109.20676    66.51421
   64    62 S   CT   _C4_    74     1.54827   108.94492   -57.89033
   65    64 S   HC   _H4_    75     1.09663   110.91823   -60.21397
   66    64 S   HC   _H5_    76     1.09542   112.53295    59.19485
   67    64 S   HC   _H6_    77     1.09645   111.25233  -179.70392
   68    62 S   CT   _C6_    78     1.54803   108.59710  -173.33891
   69    68 S   HC   _H7_    79     1.09654   111.07972    65.12542
   70    68 S   HC   _H8_    80     1.09507   112.47491   -54.18293
   71    68 S   HC   _H9_    81     1.09642   111.13148  -175.04006
   72    63 S   CA   _C19    64     1.40546   122.45277  -108.10876
   73    72 S   HA   _H19    65     1.08584   121.52977    -0.58283
   74    72 S   CA   _C20    66     1.39895   121.30216   178.92225
   75    74 S   HA   _H20    67     1.08661   119.75168  -179.70195
   76    74 S   CA   _C21    68     1.39073   120.35342    -0.41918
   77    76 S   HA   _H21    69     1.08570   120.16874  -179.51181
   78    76 S   CA   _C22    70     1.38928   119.57590    -0.00000
   79    78 S   HA   _H22    71     1.08659   120.14379  -179.41316
   80    63 S   CA   _C23    72     1.40938   120.41059    70.09780
   81    80 S   HA   _H23    73     1.08718   120.84384     0.21850
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   6   3   2   1   1   7   3   8   4   8   5   4   9   4   3   9
   8   4   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   41    42    43    44    45    46    47    48  
   42    43    44    45  
   43    44    45    46    47    48    49    57  
   44    45    46    47    48  
   45    46    47    48  
   46    47    48    49    50    51    54    57    58  
   47    48    49    57  
   48    49    57  
   49    50    51    52    53    54    55    57    58  
   50    51    52    53    54    57    58    56  
   51    52    53    57  
   52    53    54    55    57    56    59  
   53    54    56  
   54    55    57    58    56    59    60    61    62  
   55    57    58    56    59  
   57    58    56  
   59    60    61    62    63    64    68    57  
   58  
    0  
   60    61    62    63    72    80    64    65    66    67    68    69    70    71  
   61    62    63    64    68  
   62    63    64    68  
   63    72    73    74    78    80    81    64    65    66    67    68    69    70    71  
   72    73    74    75    76    78    79    80    81    64    65    66    67    68    69    70    71  
   65    66    67    68    69    70    71    72    80  
   66    67    68  
   67    68  
   68  
   69    70    71    72    80  
   70    71  
   71  
    0  
   73    74    75    76    77    78    80    81  
   74    75    76    80  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   3.7500   0.1050   0.578000   1.9250   1.7000   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
   39   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
   40   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5000   0.0660  -0.052500   1.9750   1.7500   0.005000000  -0.741685710
   43   3.6000   0.3550  -1.007500   2.0300   1.8000   0.025682759  -1.666211680
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   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   240.000  1.763
   33    34   570.000  1.229
   33    38   490.000  1.335
   38    39   434.000  1.010
   38    40   490.000  1.335
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   222.000  1.810
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.510
   48    49   469.000  1.400
   48    57   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   56    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   317.000  1.510
   62    64   268.000  1.529
   62    68   268.000  1.529
   63    72   469.000  1.400
   63    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    80.00000  104.86500
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.00000
   29    33    38    75.00000  124.00000
   33    38    39    35.00000  119.80000
   33    38    40    70.00000  121.37400
   38    33    34    80.00000  122.90000
   38    40    41    80.00000  122.90000
   38    40    42    70.00000  116.60000
   40    38    39    35.00000  119.80000
   40    42    43    70.00000  112.33000
   40    42    44    35.00000  109.50000
   40    42    45    63.00000  111.10000
   42    40    41    80.00000  120.40000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    70.00000  112.17500
   44    42    43    35.00000  109.50000
   45    42    43    75.00000  111.63000
   45    42    44    37.50000  110.70000
   45    48    49    70.00000  120.00000
   45    48    57    70.00000  120.00000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    49    50    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    57    54    63.00000  120.00000
   48    57    58    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    56    70.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    75.00000  111.00000
   54    57    58    35.00000  120.00000
   57    48    49    63.00000  120.00000
   57    54    55    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    50.00000  109.50000
   59    62    63    70.00000  112.17500
   59    62    64    58.35000  112.70000
   59    62    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    72    70.00000  120.00000
   62    63    80    70.00000  120.00000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    37.50000  110.70000
   63    72    73    35.00000  120.00000
   63    72    74    63.00000  120.00000
   63    80    78    63.00000  120.00000
   63    80    81    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   80    63    72    63.00000  120.00000
   80    78    79    35.00000  120.00000
   64    62    63    70.00000  112.17500
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    63    70.00000  112.17500
   68    62    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   2.56700 -1.0 2.0
   29    33    38    40   2.45000 -1.0 2.0
   33    38    40    41   2.22250 -1.0 2.0
   33    38    40    42   2.45000 -1.0 2.0
   34    33    38    39   2.45000 -1.0 2.0
   34    33    38    40   2.22250 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40    42    45   1.39750  1.0 1.0
   38    40    42    45  -0.07950 -1.0 2.0
   38    40    42    45  -0.18750  1.0 3.0
   39    38    40    41   2.45000 -1.0 2.0
   39    38    40    42   2.45000 -1.0 2.0
   40    42    45    46  -0.11250  1.0 3.0
   40    42    45    47  -0.11250  1.0 3.0
   40    42    45    48   0.56750  1.0 1.0
   40    42    45    48  -0.07550 -1.0 2.0
   40    42    45    48   0.20000  1.0 3.0
   41    40    42    43   0.30150 -1.0 2.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    48    49   0.04150 -1.0 2.0
   42    45    48    57   0.04150 -1.0 2.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.56750  1.0 1.0
   43    42    45    48  -0.07550 -1.0 2.0
   43    42    45    48   0.20000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.43200  1.0 3.0
   45    48    49    50   3.62500 -1.0 2.0
   45    48    49    51   3.62500 -1.0 2.0
   45    48    57    54   3.62500 -1.0 2.0
   45    48    57    58   3.62500 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    57   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    57   0.00000  1.0 1.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   49    48    57    54   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    51    53    56   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    56    59   1.63200 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -57    48   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    56    59    60   0.08050  1.0 3.0
   53    56    59    61   0.08050  1.0 3.0
   53    56    59    62  -0.32850  1.0 1.0
   53    56    59    62  -0.35800 -1.0 2.0
   53    56    59    62   0.33950  1.0 3.0
   54    53    56    59   1.63200 -1.0 2.0
   55    54    57    48   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    48    49    50   3.62500 -1.0 2.0
   57    48   -49    51   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    62    63  -0.64350  1.0 1.0
   56    59    62    63  -0.04200 -1.0 2.0
   56    59    62    63   0.19800  1.0 3.0
   56    59    62    64   0.62750  1.0 1.0
   56    59    62    64  -0.30950 -1.0 2.0
   56    59    62    64   0.27300  1.0 3.0
   56    59    62    68   0.62750  1.0 1.0
   56    59    62    68  -0.30950 -1.0 2.0
   56    59    62    68   0.27300  1.0 3.0
   59    62    63    72   0.04150 -1.0 2.0
   59    62    63    80   0.04150 -1.0 2.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    66   0.15000  1.0 3.0
   59    62    64    67   0.15000  1.0 3.0
   59    62    68    69   0.15000  1.0 3.0
   59    62    68    70   0.15000  1.0 3.0
   59    62    68    71   0.15000  1.0 3.0
   60    59    62    63   0.43200  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    68   0.15000  1.0 3.0
   61    59    62    63   0.43200  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    68   0.15000  1.0 3.0
   62    63    72    73   3.62500 -1.0 2.0
   62    63    72    74   3.62500 -1.0 2.0
   62    63    80    78   3.62500 -1.0 2.0
   62    63    80    81   3.62500 -1.0 2.0
   63    62    64    65   0.43200  1.0 3.0
   63    62    64    66   0.43200  1.0 3.0
   63    62    64    67   0.43200  1.0 3.0
   63    62    68    69   0.43200  1.0 3.0
   63    62    68    70   0.43200  1.0 3.0
   63    62    68    71   0.43200  1.0 3.0
   63    72    74    75   3.62500 -1.0 2.0
   63    72    74    76   3.62500 -1.0 2.0
   72    63    80    78   3.62500 -1.0 2.0
   72    63    80    81   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74   -76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78   -80    63   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    63   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    63    72    73   3.62500 -1.0 2.0
   80    63   -72    74   3.62500 -1.0 2.0
   64    62    63    72   0.04150 -1.0 2.0
   64    62    63    80   0.04150 -1.0 2.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   68    62    63    72   0.04150 -1.0 2.0
   68    62    63    80   0.04150 -1.0 2.0
   68    62    64    65   0.15000  1.0 3.0
   68    62    64    66   0.15000  1.0 3.0
   68    62    64    67   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
   29    38    33    34  10.50000 -1.0 2.0
   39    33    38    40   1.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   49    57    48    45   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   54    58    57    48   1.10000 -1.0 2.0
   72    80    63    62   4.00000 -1.0 2.0
   74    73    72    63   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    63   1.10000 -1.0 2.0
END
