* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    240     445
    1     0 S   NP   _N1_     1    28.71882    94.86680   -20.92615
    2     1 S   H    _HN1     2     1.02960    91.37026    32.55799
    3     1 S   H    _H1_     3     1.02838    32.38768   153.19636
    4     1 S   H    _H2_     4     1.02778    86.98684   -75.71968
    5     1 S   CT   _CA1     5     1.50110   142.98797   160.24149
    6     5 S   HC   _HA1     6     1.09568   105.27693    55.18762
    7     5 S   CO3  _C1_     7     1.53832   112.32337   -65.15778
    8     7 S   O2Z  _O11     8     1.26365   115.00960   -44.54141
    9     7 S   O2Z  _O12     9     1.26235   114.93125   134.67776
   10     5 S   CT   _CB1    10     1.53087   107.44422   173.20835
   11    10 S   HC   HB11    11     1.09820   109.51101   -49.72598
   12    10 S   HC   HB12    12     1.09833   110.33577    66.87296
   13    10 S   CT   _CG1    13     1.53012   112.63555  -170.81979
   14    13 S   HC   HG11    14     1.09585   110.35285   -59.96130
   15    13 S   HC   HG12    15     1.09625   110.15496    59.25773
   16    13 S   C    _CD1    16     1.51790   112.14327   179.60287
   17    16 S   O    _OE1    17     1.22729   123.19703    -9.46124
   18    16 S   N    _N2_    18     1.38612   111.67902   170.70576
   19    18 S   H    _HN2    19     1.01586   119.04304     2.01470
   20    18 S   CT1  _CA2    20     1.46289   123.37434  -176.52227
   21    20 S   HC   _HA2    21     1.09729   109.34956   -14.82363
   22    20 S   C    _C2_    22     1.53388   108.40957  -130.67346
   23    22 S   O    _O2_    23     1.23009   122.24955  -146.10908
   24    20 S   CT   _CB2    32     1.53527   111.19030   107.14664
   25    24 S   HC   HB21    33     1.09578   109.51347    55.97937
   26    24 S   HC   HB22    34     1.09462   110.59930   174.65005
   27    22 S   N    _N3_    24     1.38512   113.32923    41.23523
   28    27 S   H    _HN3    25     1.01537   118.88141    -0.70776
   29    24 S   S    _SG2    35     1.82848   111.50694   -65.38573
   30    27 S   CT   _CA3    26     1.45462   123.55539   175.25909
   31    30 S   HC   HA31    27     1.09515   109.36993    21.48136
   32    30 S   HC   HA32    28     1.09501   107.08019   138.49533
   33    29 S   CT   _C12    36     1.83580    99.66704   153.31459
   34    33 S   HC   _H8_    37     1.09640   108.09244   -44.53620
   35    30 S   CO3  _C3_    29     1.52919   113.05858  -102.10051
   36    35 S   O2Z  _O31    30     1.26407   115.38369   -44.91554
   37    35 S   O2Z  _O32    31     1.26352   115.00004   136.02568
   38    33 S   CT   _C11    38     1.56299   112.18955  -163.59319
   39    38 S   HC   _H7_    39     1.09829   105.60718   -34.83658
   40    38 S   CT   _C5_    40     1.54733   116.32038    83.94592
   41    40 S   HC   _H3_    41     1.09799   108.74765    53.72696
   42    38 S   CT   _C10    58     1.56720   104.48443  -148.52804
   43    40 S   CT   _C6_    42     1.54049   112.75345   172.24632
   44    43 S   HC   _H14    43     1.09931   109.57483   164.55866
   45    43 S   HC   _H15    44     1.09653   109.67128   -83.67276
   46    42 S   CT   _C14    59     1.55051    98.93879    41.73823
   47    46 S   HC   _H10    60     1.09793   110.72801    74.14273
   48    42 S   CT   _C15    67     1.55390   112.77046   -73.95534
   49    48 S   HC   _H18    68     1.09600   110.93441   173.51094
   50    48 S   HC   _H19    69     1.09377   112.89660    52.86727
   51    48 S   HC   _H20    70     1.09417   111.73483   -67.38876
   52    40 S   CT   _C4_    73     1.53471   113.03869   -63.71467
   53    52 S   HC   _H11    74     1.09464   111.63822   -53.40583
   54    52 S   HC   _H12    75     1.09561   111.03839  -173.69239
   55    52 S   HC   _H13    76     1.09296   111.17974    68.54097
   56    43 S   CT   _C7_    45     1.53406   116.51610    41.13527
   57    56 S   HC   _H4_    46     1.09749   109.45799    61.92708
   58    33 S   CT   _C13    61     1.54950   113.90900    76.96953
   59    58 S   HC   _H9_    62     1.09671   109.47971  -120.93195
   60    46 S   OH   _O33    65     1.41909   113.05314  -164.94973
   61    60 S   HO   _H16    66     0.97183   107.83789  -178.07319
   62    56 S   CT   _C8_    47     1.53982   117.93532   -65.00293
   63    62 S   HC   _H5_    48     1.09696   110.61186   107.38549
   64    58 S   OH   _O34    63     1.42034   114.88382    -1.08697
   65    64 S   HO   _H17    64     0.97189   107.84284  -175.59718
   66    62 S   CM   _C16    49     1.49512   100.28656  -138.71136
   67    62 S   CT   _C9_    56     1.54627   114.09427   -16.19997
   68    67 S   HC   _H6_    57     1.09679   107.56057   -50.95275
   69    66 S   CO4  _C18    50     1.47004   110.11654    18.30289
   70    69 S   O    _O36    51     1.21736   127.15064   170.29925
   71    66 S   CM   _C17    53     1.33661   128.49848  -157.50704
   72    71 S   HC   _H22    54     1.08467   120.93282    -2.04277
   73    71 S   HC   _H23    55     1.08524   121.78525   177.81797
   74    67 S   OH   _O35    71     1.43048   110.35723  -163.84245
   75    74 S   HO   _H21    72     0.97142   108.43221   -56.30213
   76    56 S   OS   _O37    52     1.44873   105.71441   176.30763
  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
  17   8   2   1   1  26   9  17   9  21  14   6   5  15   7   9
   3   2   1   4   2   1   1  11   6   6   3   3   1  12   7   1
   1   9   6   2   5   2   3   1   1   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    58    59    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    67    42    46    47    58    59    64    65    60    48    52  
   38    39    40    42    46    58    59    64  
   36    37  
   37  
    0  
   39    40    41    43    44    45    56    62    67    68    42    46    47    58    59    64    60    48    49    50    51    74    52    53    54    55  
   40    41    43    67    42    46    58    48    52  
   41    43    44    45    56    57    62    76    67    42    46    58    48    52    53    54    55  
   43    44    45    56    42    52    53    54    55  
   46    47    58    59    64    60    61    48    49    50    51    74    75    52    43    56    62    63    66    67    68  
   44    45    56    57    62    63    66    69    76    67    52    53    54    55  
   45    56    57    62    76    52  
   56    57    62    76    52  
   47    58    59    64    65    60    61    48    49    50    51    74    62    67    68  
   58    59    64    60    61    48    67  
   49    50    51    74    58    60    62    67    68  
   50    51    67  
   51    67  
   67  
   53    54    55    56  
   54    55  
   55  
    0  
   57    62    63    66    69    70    76    71    67    68    74  
   62    63    66    69    76    67  
   59    64    65    60    61    67  
   64    65    60  
   61    64    67  
    0  
   63    66    69    70    76    71    72    73    67    68    74    75  
   66    69    76    71    67    68    74  
   65  
    0  
   69    70    76    71    72    73    67    68    74  
   68    74    75    69    71    76  
   74    75  
   70    76    71    72    73  
   76    71  
   72    73    76  
   73  
    0  
   75  
    0  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   268.000  1.529
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    52   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    56   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    76   320.000  1.410
   62    63   340.000  1.090
   62    66   317.000  1.510
   62    67   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    76   214.000  1.327
   71    72   340.000  1.080
   71    73   340.000  1.080
   67    68   340.000  1.090
   67    42   268.000  1.529
   67    74   320.000  1.410
   42    46   268.000  1.529
   42    48   268.000  1.529
   46    47   340.000  1.090
   46    58   268.000  1.529
   46    60   320.000  1.410
   58    59   340.000  1.090
   58    64   320.000  1.410
   64    65   553.000  0.945
   60    61   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   74    75   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    58.35000  112.70000
   33    58    46    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    52    58.35000  112.70000
   38    42    67    58.35000  112.70000
   38    42    46    58.35000  112.70000
   38    42    48    58.35000  112.70000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    56    58.35000  112.70000
   40    52    53    37.50000  110.70000
   40    52    54    37.50000  110.70000
   40    52    55    37.50000  110.70000
   43    40    41    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    62    58.35000  112.70000
   43    56    76    50.00000  109.50000
   45    43    44    33.00000  107.80000
   56    43    44    37.50000  110.70000
   56    43    45    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    66    70.00000  112.02700
   56    62    67    58.35000  112.70000
   56    76    69    83.00000  116.90000
   62    56    57    37.50000  110.70000
   62    66    69    65.00000  116.34900
   62    66    71    70.00000  124.00000
   62    67    68    37.50000  110.70000
   62    67    42    58.35000  112.70000
   62    67    74    50.00000  109.50000
   66    62    63    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    76    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   76    56    57    35.00000  109.50000
   76    56    62    50.00000  109.50000
   76    69    70    83.00000  123.40000
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   67    62    63    37.50000  110.70000
   67    62    66    70.00000  112.02700
   67    42    46    58.35000  112.70000
   67    42    48    58.35000  112.70000
   67    74    75    55.00000  108.50000
   42    38    39    37.50000  110.70000
   42    38    40    58.35000  112.70000
   42    67    68    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    58    58.35000  112.70000
   42    46    60    50.00000  109.50000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   46    58    59    37.50000  110.70000
   46    58    64    50.00000  109.50000
   46    60    61    55.00000  108.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    46    47    37.50000  110.70000
   58    64    65    55.00000  108.50000
   64    58    59    35.00000  109.50000
   60    46    47    35.00000  109.50000
   60    46    58    50.00000  109.50000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    42    50.00000  109.50000
   52    40    41    37.50000  110.70000
   52    40    43    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    58    46   0.44750  1.0 1.0
   29    33    58    46  -0.17800 -1.0 2.0
   29    33    58    46   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    64   0.56750  1.0 1.0
   29    33    58    64  -0.07550 -1.0 2.0
   29    33    58    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    52   0.56750  1.0 1.0
   33    38    40    52  -0.07550 -1.0 2.0
   33    38    40    52   0.20000  1.0 3.0
   33    38    42    67   0.56750  1.0 1.0
   33    38    42    67  -0.07550 -1.0 2.0
   33    38    42    67   0.20000  1.0 3.0
   33    38   -42    46   0.56750  1.0 1.0
   33    38   -42    46  -0.07550 -1.0 2.0
   33    38   -42    46   0.20000  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   33    58    64    65  -0.11600  1.0 1.0
   33    58    64    65  -0.09450 -1.0 2.0
   33    58    64    65   0.21250  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    42   0.15000  1.0 3.0
   34    33    58    46   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    64   0.23400  1.0 3.0
   38    33   -58    46   0.56750  1.0 1.0
   38    33   -58    46  -0.07550 -1.0 2.0
   38    33   -58    46   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    64   0.86500  1.0 1.0
   38    33    58    64  -0.17500 -1.0 2.0
   38    33    58    64   0.20800  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40    43    56   0.56750  1.0 1.0
   38    40    43    56  -0.07550 -1.0 2.0
   38    40    43    56   0.20000  1.0 3.0
   38    40    52    53   0.15000  1.0 3.0
   38    40    52    54   0.15000  1.0 3.0
   38    40    52    55   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42   -46    58   0.56750  1.0 1.0
   38    42   -46    58  -0.07550 -1.0 2.0
   38    42   -46    58   0.20000  1.0 3.0
   38    42    46    60   0.86500  1.0 1.0
   38    42    46    60  -0.17500 -1.0 2.0
   38    42    46    60   0.20800  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    50   0.15000  1.0 3.0
   38    42    48    51   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    52   0.15000  1.0 3.0
   39    38    42    67   0.15000  1.0 3.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   40    38    42    67   0.56750  1.0 1.0
   40    38    42    67  -0.07550 -1.0 2.0
   40    38    42    67   0.20000  1.0 3.0
   40    38    42    46   0.56750  1.0 1.0
   40    38    42    46  -0.07550 -1.0 2.0
   40    38    42    46   0.20000  1.0 3.0
   40    38    42    48   0.56750  1.0 1.0
   40    38    42    48  -0.07550 -1.0 2.0
   40    38    42    48   0.20000  1.0 3.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    62   0.56750  1.0 1.0
   40    43    56    62  -0.07550 -1.0 2.0
   40    43    56    62   0.20000  1.0 3.0
   40    43    56    76   0.62750  1.0 1.0
   40    43    56    76  -0.30950 -1.0 2.0
   40    43    56    76   0.27300  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    56   0.15000  1.0 3.0
   41    40    52    53   0.15000  1.0 3.0
   41    40    52    54   0.15000  1.0 3.0
   41    40    52    55   0.15000  1.0 3.0
   43    40    52    53   0.15000  1.0 3.0
   43    40    52    54   0.15000  1.0 3.0
   43    40    52    55   0.15000  1.0 3.0
   43    56    62    63   0.15000  1.0 3.0
   43    56    62    66   0.34400  1.0 1.0
   43    56    62    66   0.09450 -1.0 2.0
   43    56    62    66   0.11100  1.0 3.0
   43    56    62    67   0.56750  1.0 1.0
   43    56    62    67  -0.07550 -1.0 2.0
   43    56    62    67   0.20000  1.0 3.0
   43    56    76    69  -0.25900  1.0 1.0
   43    56    76    69  -0.47000 -1.0 2.0
   43    56    76    69   0.11750  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    62   0.15000  1.0 3.0
   44    43    56    76   0.23400  1.0 3.0
   45    43    56    57   0.15000  1.0 3.0
   45    43    56    62   0.15000  1.0 3.0
   45    43    56    76   0.23400  1.0 3.0
   56    62   -66    69   0.09700  1.0 1.0
   56    62   -66    69   0.15600 -1.0 2.0
   56    62   -66    69  -0.50800  1.0 3.0
   56    62    66    71   0.09850  1.0 1.0
   56    62    66    71   0.15250 -1.0 2.0
   56    62    66    71  -0.50650  1.0 3.0
   56    62    67    68   0.15000  1.0 3.0
   56    62    67    42   0.56750  1.0 1.0
   56    62    67    42  -0.07550 -1.0 2.0
   56    62    67    42   0.20000  1.0 3.0
   56    62    67    74   0.86500  1.0 1.0
   56    62    67    74  -0.17500 -1.0 2.0
   56    62    67    74   0.20800  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    66   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    76    69   0.08050  1.0 3.0
   62    56   -76    69  -0.25900  1.0 1.0
   62    56   -76    69  -0.47000 -1.0 2.0
   62    56   -76    69   0.11750  1.0 3.0
   62    66    69    70  -0.64400  1.0 1.0
   62    66    69    70   0.26850 -1.0 2.0
   62    66   -69    76  -0.15000  1.0 1.0
   62    66   -69    76   0.89550 -1.0 2.0
   62    66   -69    76  -0.06900  1.0 3.0
   62    66    71    72   7.00000 -1.0 2.0
   62    66    71    73   7.00000 -1.0 2.0
   62    67    42    38   0.56750  1.0 1.0
   62    67    42    38  -0.07550 -1.0 2.0
   62    67    42    38   0.20000  1.0 3.0
   62    67    42    46   0.56750  1.0 1.0
   62    67    42    46  -0.07550 -1.0 2.0
   62    67    42    46   0.20000  1.0 3.0
   62    67    42    48   0.56750  1.0 1.0
   62    67    42    48  -0.07550 -1.0 2.0
   62    67    42    48   0.20000  1.0 3.0
   62    67    74    75  -0.11600  1.0 1.0
   62    67    74    75  -0.09450 -1.0 2.0
   62    67    74    75   0.21250  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    66    71   0.00000  1.0 1.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    42   0.15000  1.0 3.0
   63    62    67    74   0.23400  1.0 3.0
   66    62    67    68   0.15000  1.0 3.0
   66    62    67    42   0.34400  1.0 1.0
   66    62    67    42   0.09450 -1.0 2.0
   66    62    67    42   0.11100  1.0 3.0
   66    62    67    74   1.05650  1.0 1.0
   66    62    67    74   0.15600 -1.0 2.0
   66    62    67    74   0.53150  1.0 3.0
   66    69   -76    56   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   70    69    76    56   3.00000 -1.0 2.0
   76    56    62    63   0.23400  1.0 3.0
   76    56   -62    66   0.61850  1.0 1.0
   76    56   -62    66  -0.22750 -1.0 2.0
   76    56   -62    66   0.15300  1.0 3.0
   76    56    62    67   0.62750  1.0 1.0
   76    56    62    67  -0.30950 -1.0 2.0
   76    56    62    67   0.27300  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    76  -0.56150  1.0 1.0
   71    66    69    76   2.19150 -1.0 2.0
   67    62    66    69   0.09700  1.0 1.0
   67    62    66    69   0.15600 -1.0 2.0
   67    62    66    69  -0.50800  1.0 3.0
   67    62    66    71   0.09850  1.0 1.0
   67    62    66    71   0.15250 -1.0 2.0
   67    62    66    71  -0.50650  1.0 3.0
   67    42    46    47   0.15000  1.0 3.0
   67    42    46    58   0.56750  1.0 1.0
   67    42    46    58  -0.07550 -1.0 2.0
   67    42    46    58   0.20000  1.0 3.0
   67    42    46    60   0.86500  1.0 1.0
   67    42    46    60  -0.17500 -1.0 2.0
   67    42    46    60   0.20800  1.0 3.0
   67    42    48    49   0.15000  1.0 3.0
   67    42    48    50   0.15000  1.0 3.0
   67    42    48    51   0.15000  1.0 3.0
   68    67    42    38   0.15000  1.0 3.0
   68    67    42    46   0.15000  1.0 3.0
   68    67    42    48   0.15000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    43   0.56750  1.0 1.0
   42    38    40    43  -0.07550 -1.0 2.0
   42    38    40    43   0.20000  1.0 3.0
   42    38    40    52   0.56750  1.0 1.0
   42    38    40    52  -0.07550 -1.0 2.0
   42    38    40    52   0.20000  1.0 3.0
   42    67    74    75  -0.11600  1.0 1.0
   42    67    74    75  -0.09450 -1.0 2.0
   42    67    74    75   0.21250  1.0 3.0
   42    46   -58    33   0.56750  1.0 1.0
   42    46   -58    33  -0.07550 -1.0 2.0
   42    46   -58    33   0.20000  1.0 3.0
   42    46    58    59   0.15000  1.0 3.0
   42    46    58    64   0.86500  1.0 1.0
   42    46    58    64  -0.17500 -1.0 2.0
   42    46    58    64   0.20800  1.0 3.0
   42    46    60    61  -0.11600  1.0 1.0
   42    46    60    61  -0.09450 -1.0 2.0
   42    46    60    61   0.21250  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   46    58    64    65  -0.11600  1.0 1.0
   46    58    64    65  -0.09450 -1.0 2.0
   46    58    64    65   0.21250  1.0 3.0
   47    46    58    33   0.15000  1.0 3.0
   47    46    58    59   0.15000  1.0 3.0
   47    46    58    64   0.23400  1.0 3.0
   47    46    60    61   0.19450  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.56750  1.0 1.0
   58    33    38    40  -0.07550 -1.0 2.0
   58    33    38    40   0.20000  1.0 3.0
   58    33   -38    42   0.56750  1.0 1.0
   58    33   -38    42  -0.07550 -1.0 2.0
   58    33   -38    42   0.20000  1.0 3.0
   58    46    60    61  -0.11600  1.0 1.0
   58    46    60    61  -0.09450 -1.0 2.0
   58    46    60    61   0.21250  1.0 3.0
   59    58    64    65   0.19450  1.0 3.0
   60    46    58    33   0.86500  1.0 1.0
   60    46    58    33  -0.17500 -1.0 2.0
   60    46    58    33   0.20800  1.0 3.0
   60    46    58    59   0.23400  1.0 3.0
   60    46    58    64   3.75450  1.0 1.0
   48    42    46    47   0.15000  1.0 3.0
   48    42    46    58   0.56750  1.0 1.0
   48    42    46    58  -0.07550 -1.0 2.0
   48    42    46    58   0.20000  1.0 3.0
   48    42    46    60   0.86500  1.0 1.0
   48    42    46    60  -0.17500 -1.0 2.0
   48    42    46    60   0.20800  1.0 3.0
   74    67    42    38   0.86500  1.0 1.0
   74    67    42    38  -0.17500 -1.0 2.0
   74    67    42    38   0.20800  1.0 3.0
   74    67    42    46   0.86500  1.0 1.0
   74    67    42    46  -0.17500 -1.0 2.0
   74    67    42    46   0.20800  1.0 3.0
   74    67    42    48   0.86500  1.0 1.0
   74    67    42    48  -0.17500 -1.0 2.0
   74    67    42    48   0.20800  1.0 3.0
   52    40    43    44   0.15000  1.0 3.0
   52    40    43    45   0.15000  1.0 3.0
   52    40    43    56   0.56750  1.0 1.0
   52    40    43    56  -0.07550 -1.0 2.0
   52    40    43    56   0.20000  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
   62    69    66    71   1.10000 -1.0 2.0
   66    76    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
END
