* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    143    202     407
    1     0 S   NP   _N1_     1    30.28050    98.06511   -22.50246
    2     1 S   H    _HN1     2     1.02848    45.80172   -42.87232
    3     1 S   H    _H1_     3     1.02755    65.63861   163.41377
    4     1 S   H    _H2_     4     1.03485   138.15858  -107.18746
    5     1 S   CT   _CA1     5     1.50034   108.90790    58.27056
    6     5 S   HC   _HA1     6     1.09560   104.94084   129.97922
    7     5 S   CO3  _C1_     7     1.53722   113.31834     9.34393
    8     7 S   O2Z  _O11     8     1.26396   115.08097   -32.93020
    9     7 S   O2Z  _O12     9     1.26244   115.04925   146.49424
   10     5 S   CT   _CB1    10     1.53085   107.48247  -111.60307
   11    10 S   HC   HB11    11     1.09580   109.54177   -40.91586
   12    10 S   HC   HB12    12     1.09831   110.26564    74.74370
   13    10 S   CT   _CG1    13     1.53194   112.80245  -163.72726
   14    13 S   HC   HG11    14     1.09562   110.75293  -100.40704
   15    13 S   HC   HG12    15     1.09520   111.61245    18.61243
   16    13 S   C    _CD1    16     1.51499   109.92421   139.46397
   17    16 S   O    _OE1    17     1.22797   121.80781    90.51184
   18    16 S   N    _N2_    18     1.38577   112.59942   -86.95574
   19    18 S   H    _HN2    19     1.01623   119.18625    -3.39961
   20    18 S   CT1  _CA2    20     1.46283   123.55176   175.43280
   21    20 S   HC   _HA2    21     1.09705   109.19740   -10.30698
   22    20 S   C    _C2_    22     1.53740   108.94118  -126.19015
   23    22 S   O    _O2_    23     1.23073   122.04716  -157.05668
   24    20 S   CT   _CB2    32     1.53519   111.61576   111.98785
   25    24 S   HC   HB21    33     1.09269   109.21598    59.95172
   26    24 S   HC   HB22    34     1.09531   110.48787   177.45532
   27    22 S   N    _N3_    24     1.38325   113.99352    29.61833
   28    27 S   H    _HN3    25     1.01462   119.10887    -1.76791
   29    24 S   S    _SG2    35     1.83080   111.57432   -63.54895
   30    27 S   CT   _CA3    26     1.45313   123.45993   178.46214
   31    30 S   HC   HA31    27     1.09546   107.20841   -71.35465
   32    30 S   HC   HA32    28     1.09555   108.27091    45.05972
   33    29 S   CT   _C13    36     1.86256   101.72202   139.47576
   34    30 S   CO3  _C3_    29     1.53040   114.30658   167.20621
   35    34 S   O2Z  _O31    30     1.26435   116.32165    -4.36233
   36    34 S   O2Z  _O32    31     1.26404   114.45508   175.72795
   37    33 S   CM   _C7_    37     1.52745   111.15358   -59.80331
   38    33 S   CT   _C17    77     1.53920   107.47688   178.58307
   39    38 S   HC   _H35    78     1.09719   112.08370   -62.49848
   40    38 S   HC   _H36    79     1.09728   110.65321   178.81799
   41    38 S   HC   _H37    80     1.09575   112.64178    58.44015
   42    37 S   CMA  _C5_    38     1.36362   123.32892   119.98194
   43    42 S   OM   _O19    39     1.26488   128.90354  -177.72945
   44    37 S   CT   _C19    50     1.53428   116.88387   -58.32907
   45    44 S   HC   _H41    51     1.09529   110.90487    15.68417
   46    44 S   HC   _H42    52     1.09330   108.80824   129.67809
   47    42 S   CM   _C6_    40     1.48873   119.47640     2.11369
   48    44 S   CM   _C9_    53     1.50561   113.42673  -104.24112
   49    48 S   HC   _H24    54     1.08897   114.35387    59.82168
   50    47 S   CM   _C4_    41     1.34266   122.11923    -2.25090
   51    50 S   HC   _H23    42     1.08295   123.22651  -179.75213
   52    47 S   OS   _O21    45     1.39473   114.97398   177.78636
   53    48 S   CM   _C11    55     1.34839   128.11128  -122.97127
   54    33 S   CO4  _C8_    43     1.52996   106.27065    64.71481
   55    54 S   O    _O20    44     1.23309   122.73387    56.08639
   56    52 S   CT   _C18    46     1.42155   118.94896   179.68286
   57    56 S   HC   _H38    47     1.09411   107.84295  -179.88465
   58    56 S   HC   _H39    48     1.09470   111.01632    62.22985
   59    56 S   HC   _H40    49     1.09472   111.01558   -62.00375
   60    53 S   CT   _C14    56     1.50472   125.20563     3.01928
   61    60 S   HC   _H26    57     1.09525   109.90030   121.46525
   62    60 S   HC   _H27    58     1.09115   113.89190     1.43504
   63    60 S   HC   _H28    59     1.09366   110.60170  -119.17849
   64    53 S   CT   _C21    60     1.51845   119.76663  -177.75005
   65    64 S   HC   _H45    61     1.09761   108.70615  -133.69926
   66    64 S   HC   _H46    62     1.09839   110.54068   -18.53594
   67    64 S   CT   _C20    63     1.53564   113.60068   104.69388
   68    67 S   HC   _H43    64     1.09332   110.53193    59.14012
   69    67 S   HC   _H44    65     1.09760   108.34753   174.05802
   70    67 S   CM   _C10    66     1.50528   112.49389   -67.38477
   71    70 S   HC   _H25    67     1.08961   113.88834   -69.89536
   72    70 S   CM   _C12    68     1.34690   128.14292   109.85810
   73    72 S   CT   _C15    69     1.50584   120.35905  -179.60534
   74    73 S   HC   _H29    70     1.09505   110.22202   119.65392
   75    73 S   HC   _H30    71     1.09510   112.43706    -0.41684
   76    73 S   HC   _H31    72     1.09494   110.24661  -120.52825
   77    72 S   CT   _C16    73     1.50279   125.44468    -0.54536
   78    77 S   HC   _H32    74     1.09511   110.05943   121.87059
   79    77 S   HC   _H33    75     1.09516   109.99638  -118.87429
   80    77 S   HC   _H34    76     1.09098   113.72213     1.51878
  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  11   5   4   3
  16   2   1   1  17   8   3   2   1  11   4   9   4   3   9  10
   3   5   3   5  11   1   1   3   2   1   1   7   3   2   1   8
   5   4   7   4   3  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    50    54    55    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    50    51    54    55    44    45    46    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    50    54    55    52    44    45    46    48    49    53    38    39    40    41  
   39    40    41    42    44    50    54    55  
   40    41    54  
   41    54  
   54  
   43    47    50    51    54    52    56    44    45    46    48  
   47    50    52    44  
   45    46    48    49    53    60    64    47    54  
   46    48    49    53  
   48    49    53  
   50    51    54    55    52    56    57    58    59  
   49    53    60    61    62    63    64    65    66    67  
   53    60    64  
   51    54    55    52    56  
   54    55    52  
   56    57    58    59    54  
   60    61    62    63    64    65    66    67    68    69    70  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    54   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   465.000  1.376
   47    50   549.000  1.340
   47    52   440.000  1.360
   50    51   340.000  1.080
   50    54   320.000  1.462
   54    55   570.000  1.229
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    60   317.000  1.510
   53    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    54    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    54    50    65.00000  118.62400
   33    54    55    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    70.00000  123.01800
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    48    70.00000  110.12100
   42    47    50    70.00000  117.34000
   42    47    52    80.00000  120.01400
   47    42    43    65.00000  137.10300
   47    50    51    35.00000  120.00000
   47    50    54    65.00000  118.96000
   47    52    56    90.00000  111.18400
   50    54    55    80.00000  123.72100
   54    33    37    70.00000  109.06800
   54    50    51    40.00000  117.72500
   52    47    50    80.00000  120.01400
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    49    35.00000  117.00000
   44    48    53    70.00000  124.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    53    60    70.00000  124.00000
   48    53    64    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   53    64    65    35.00000  109.50000
   53    64    66    35.00000  109.50000
   53    64    67    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    53    60    65.00000  117.92700
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    54    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    54    50   0.65300  1.0 1.0
   29    33    54    50  -0.03850 -1.0 2.0
   29    33    54    50   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   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
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    48   0.09700  1.0 1.0
   33    37    44    48   0.15600 -1.0 2.0
   33    37    44    48  -0.50800  1.0 3.0
   37    33    54    50   0.65300  1.0 1.0
   37    33    54    50  -0.03850 -1.0 2.0
   37    33    54    50   0.33900  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -47    50   7.00000 -1.0 2.0
   37    42    47    52   7.00000 -1.0 2.0
   37    44    48    49   0.00000  1.0 1.0
   37    44    48    53  -0.28300  1.0 1.0
   37    44    48    53   0.26700 -1.0 2.0
   37    44    48    53  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    48  -0.28300  1.0 1.0
   42    37    44    48   0.26700 -1.0 2.0
   42    37    44    48  -0.63300  1.0 3.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    50    54   7.00000 -1.0 2.0
   42    47    52    56  -2.26850  1.0 1.0
   42    47    52    56   3.39050 -1.0 2.0
   43    42    47    50   7.00000 -1.0 2.0
   43    42    47    52   7.00000 -1.0 2.0
   47    50   -54    33  -0.33500  1.0 1.0
   47    50   -54    33   1.06600 -1.0 2.0
   47    50   -54    33  -0.14000  1.0 3.0
   47    50    54    55   1.00000 -1.0 2.0
   47    52    56    57   0.08050  1.0 3.0
   47    52    56    58   0.08050  1.0 3.0
   47    52    56    59   0.08050  1.0 3.0
   50    47    52    56  -2.26850  1.0 1.0
   50    47    52    56   3.39050 -1.0 2.0
   51    50    54    33   0.04550  1.0 1.0
   51    50    54    33   0.83000 -1.0 2.0
   51    50    54    33  -0.04000  1.0 3.0
   51    50    54    55   0.00000  1.0 1.0
   54    33   -37    42  -0.51250  1.0 1.0
   54    33   -37    42  -0.88800 -1.0 2.0
   54    33   -37    42   0.08850  1.0 3.0
   54    33    37    44   0.17250  1.0 1.0
   54    33    37    44  -0.04100 -1.0 2.0
   54    33    37    44  -0.33850  1.0 3.0
   54    33    38    39  -0.11250  1.0 3.0
   54    33    38    40  -0.11250  1.0 3.0
   54    33    38    41  -0.11250  1.0 3.0
   52    47    50    51   7.00000 -1.0 2.0
   52    47    50    54   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    48    53    60   7.00000 -1.0 2.0
   44    48    53    64   7.00000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    53   0.00000  1.0 1.0
   46    44    48    49   0.33100  1.0 3.0
   46    44    48    53   0.00000  1.0 1.0
   48    53    60    61   0.00000  1.0 1.0
   48    53    60    62   0.00000  1.0 1.0
   48    53    60    63   0.00000  1.0 1.0
   48    53    64    65   0.00000  1.0 1.0
   48    53    64    66   0.00000  1.0 1.0
   48    53    64    67   0.09850  1.0 1.0
   48    53    64    67   0.15250 -1.0 2.0
   48    53    64    67  -0.50650  1.0 3.0
   49    48    53    60   7.00000 -1.0 2.0
   49    48    53    64   7.00000 -1.0 2.0
   53    64    67    68   0.15000  1.0 3.0
   53    64    67    69   0.15000  1.0 3.0
   53    64    67    70   0.31000  1.0 1.0
   53    64    67    70   0.14700 -1.0 2.0
   53    64    67    70   0.07550  1.0 3.0
   60    53    64    65   0.34800  1.0 3.0
   60    53    64    66   0.34800  1.0 3.0
   60    53    64    67   0.46850  1.0 1.0
   60    53    64    67   0.08550 -1.0 2.0
   60    53    64    67   0.09800  1.0 3.0
   64    53    60    61   0.34800  1.0 3.0
   64    53    60    62   0.34800  1.0 3.0
   64    53    60    63   0.34800  1.0 3.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.09850  1.0 1.0
   64    67    70    72   0.15250 -1.0 2.0
   64    67    70    72  -0.50650  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    77   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    54    50   0.65300  1.0 1.0
   38    33    54    50  -0.03850 -1.0 2.0
   38    33    54    50   0.33900  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   42    52    47    50   1.10000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   33    50    54    55  10.50000 -1.0 2.0
   44    49    48    53  15.00000 -1.0 2.0
   60    64    53    48  15.00000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
