* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    159    243     450
    1     0 S   NP   _N1_     1    28.66864    96.96563   -22.88915
    2     1 S   H    _HN1     2     1.02794   108.11182  -117.96959
    3     1 S   H    _H1_     3     1.02940    72.84378   -13.67635
    4     1 S   H    _H2_     4     1.02817    36.37612   146.18445
    5     1 S   CT   _CA1     5     1.50134   135.47190    88.23062
    6     5 S   HC   _HA1     6     1.09566   105.18014    91.71341
    7     5 S   CO3  _C1_     7     1.53837   112.44987   -28.63172
    8     7 S   O2Z  _O11     8     1.26414   114.96194   -41.03011
    9     7 S   O2Z  _O12     9     1.26208   115.04072   137.94571
   10     5 S   CT   _CB1    10     1.53069   107.39490  -150.08677
   11    10 S   HC   HB11    11     1.09839   109.65389   -46.90736
   12    10 S   HC   HB12    12     1.09804   110.42430    69.85680
   13    10 S   CT   _CG1    13     1.52937   112.38247  -167.65515
   14    13 S   HC   HG11    14     1.09511   110.71391   -65.06079
   15    13 S   HC   HG12    15     1.09627   109.47720    54.14770
   16    13 S   C    _CD1    16     1.51748   111.99263   174.93086
   17    16 S   O    _OE1    17     1.22777   123.08594    17.47983
   18    16 S   N    _N2_    18     1.38571   112.01095  -163.02413
   19    18 S   H    _HN2    19     1.01747   118.76513     1.80862
   20    18 S   CT1  _CA2    20     1.46282   123.46709   178.24822
   21    20 S   HC   _HA2    21     1.09738   109.34369    10.27688
   22    20 S   C    _C2_    22     1.53597   108.74600  -105.40705
   23    22 S   O    _O2_    23     1.23090   122.24655  -144.41609
   24    20 S   CT   _CB2    32     1.53412   111.31030   132.26005
   25    24 S   HC   HB21    33     1.09184   109.11170    58.30631
   26    24 S   HC   HB22    34     1.09515   110.40823   176.11980
   27    22 S   N    _N3_    24     1.38341   113.84729    43.12108
   28    27 S   H    _HN3    25     1.01549   119.74625    -3.49329
   29    24 S   S    _SG2    35     1.83003   111.02865   -65.10542
   30    27 S   CT   _CA3    26     1.45290   123.10983   177.18659
   31    30 S   HC   HA31    27     1.09555   107.62834   -61.03144
   32    30 S   HC   HA32    28     1.09558   107.81720    55.34990
   33    29 S   CT   _C9_    36     1.89442   102.77560   146.30379
   34    30 S   CO3  _C3_    29     1.52958   114.19285   177.24949
   35    34 S   O2Z  _O31    30     1.26367   116.12826    -0.64194
   36    34 S   O2Z  _O32    31     1.26444   114.39733   179.33442
   37    33 S   CT   _C10    37     1.56266   109.69559    53.79204
   38    37 S   HC   _H11    38     1.09489   110.26973  -178.02038
   39    37 S   HC   _H12    39     1.09493   110.90875   -61.97181
   40    33 S   CT   _C8_    73     1.55840   108.96330   -64.84219
   41    40 S   HC   _H9_    74     1.09538   110.19417   178.70517
   42    40 S   HC   _H10    75     1.09365   110.37255    63.48703
   43    37 S   S    _S2_    40     1.83616   116.22465    60.24121
   44    40 S   S    _S1_    76     1.83123   115.90009   -60.14486
   45    43 S   C4T  _C11    41     1.81887    95.90158    56.43007
   46    45 S   HC   _H3_    42     1.09485   115.05121    76.51606
   47    44 S   CDX  _C5_    77     1.77050    98.26151   162.25170
   48    45 S   C4T  _C12    43     1.55503   114.09956  -145.94013
   49    48 S   HC   _H4_    44     1.09592   117.04507    -0.31027
   50    45 S   N4   _N7_    47     1.45134   108.55204   -51.01955
   51    47 S   NI   _N5_    78     1.29624   114.82284   -77.97528
   52    48 S   C4   _C13    45     1.55431    85.08949   112.53130
   53    52 S   O    _O35    46     1.20885   136.41975   177.07738
   54    33 S   CT1  _C14    48     1.57002   106.05831   174.44931
   55    54 S   HC   _H5_    49     1.09942   109.37767    42.12419
   56    48 S   N    _N8_    53     1.47719   114.23308  -133.52585
   57    56 S   H    _H13    54     1.01731   119.60196  -105.77927
   58    51 S   C    _C6_    79     1.37777   115.43789  -179.16631
   59    58 S   O    _O33    80     1.22668   120.87542   173.05963
   60    54 S   CO3  _C15    50     1.55096   116.38712   161.56934
   61    60 S   O2Z  _O37    51     1.26248   116.17287    46.74739
   62    60 S   O2Z  _O36    52     1.26465   114.74158  -134.08619
   63    56 S   C    _C16    55     1.37892   122.11262    71.56065
   64    63 S   O    _O38    56     1.22068   128.26088     3.12023
   65    58 S   CHZ  _C7_    81     1.54528   119.23798    -6.47242
   66    65 S   OM   _O34    82     1.24225   109.12934  -172.79353
   67    63 S   CD   _C17    57     1.50594   112.90957  -175.26588
   68    65 S   NI   _N6_    83     1.29797   119.96061     7.04423
   69    67 S   C5B  _C19    58     1.45259   119.37448    81.51600
   70    67 S   NI   _N9_    67     1.29778   121.84857   -98.22237
   71    47 S   NE   _N4_    84     1.38573   119.68282   101.86487
   72    69 S   C5A  _C20    59     1.38154   125.77271   177.50464
   73    72 S   HA   _H17    60     1.08107   128.86420    -0.46436
   74    70 S   OS   _O39    68     1.40197   111.31660     0.24629
   75    71 S   CT   _C4_    85     1.45719   124.24763     1.94038
   76    75 S   HC   _H6_    86     1.09490   110.76429    57.32852
   77    75 S   HC   _H7_    87     1.09496   110.59027   -63.99780
   78    75 S   HC   _H8_    88     1.09636   111.55407   176.50991
   79    72 S   SA   _S3_    61     1.71200   110.11577   179.47661
   80    74 S   CT   _C18    69     1.41974   108.17619  -179.52895
   81    80 S   HC   _H14    70     1.09315   108.47247  -180.00000
   82    80 S   HC   _H15    71     1.09443   110.33621    60.97963
   83    80 S   HC   _H16    72     1.09443   110.33297   -60.97731
   84    79 S   CRA  _C21    62     1.72305    89.94619    -0.22029
   85    69 S   N5B  _N10    63     1.38764   119.83274    -3.02860
   86    84 S   NE   _N11    64     1.34624   120.52501  -179.44012
   87    86 S   H    _H18    65     1.01482   121.38863   179.00594
   88    86 S   H    _H19    66     1.01380   122.11173     0.14265
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  12   6  10  10
   6   8   7   7   2   4   3   6   3   5   3   2   1   1   7   3
   4   2   9   5   8   7   4   5   3   4   3   2   1   1   5   3
   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    54    55    60    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    52    50    54    55    60    61    62    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    50    54    55    60    40    41    42    44  
   39    43    45    54    40  
   43    45    54    40  
   41    42    44    47    51    71    43    50    54    55    60  
   42    44    47    54  
   44    47    54  
   45    46    48    49    52    50    54    56  
   47    51    58    68    71    75    54  
   46    48    49    52    53    50    54    55    60    56    57    63  
   48    49    52    50    54    56  
   51    58    59    65    68    71    75    76    77    78  
   49    52    53    50    54    56    57    63    64    67  
   52    53    50    56    57    63  
   54    55    60    61    62    56    52    53  
   58    59    65    66    68    71    75  
   53    54    55    60    56    57    63  
   54    56  
   55    60    61    62  
   60    61    62  
   57    63    64    67    69    70  
   63    64    67  
   59    65    66    68    71  
   65    66    68  
   61    62  
   62  
    0  
   64    67    69    72    85    70    74  
   67    69    70  
   66    68    71    75  
   68    71  
   69    72    73    79    84    85    70    74    80  
   71    75    76    77    78  
   72    73    79    84    85    86    70    74  
   74    80    81    82    83    72    85  
   75    76    77    78  
   73    79    84    85    86  
   79    84    85  
   80    81    82    83  
   76    77    78  
   77    78  
   78  
    0  
   84    85    86    87    88  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.341500   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   52   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.168800   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.7500   0.1050   0.537900   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   67   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   68   3.2800   0.1700  -0.676700   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   71   3.2500   0.1700  -0.097500   1.9050   1.6860   0.051222218  -2.220205820
   72   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   80   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   85   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   86   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   87   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   305.000  1.456
   48    49   340.000  1.090
   48    52   250.000  1.540
   48    56   337.000  1.449
   52    53   930.000  1.212
   52    50   440.000  1.369
   50    54   337.000  1.449
   54    55   340.000  1.090
   54    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   56    57   434.000  1.010
   56    63   490.000  1.335
   63    64   570.000  1.229
   63    67   270.000  1.486
   67    69   305.000  1.466
   67    70   500.000  1.261
   69    72   520.000  1.370
   69    85   410.000  1.394
   72    73   367.000  1.080
   72    79   265.000  1.745
   79    84   250.000  1.765
   84    85   488.000  1.335
   84    86   420.000  1.385
   86    87   434.000  1.010
   86    88   434.000  1.010
   70    74   320.000  1.394
   74    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   215.000  1.812
   47    51   650.000  1.285
   47    71   445.000  1.380
   51    58   415.000  1.368
   58    59   570.000  1.229
   58    65   300.000  1.463
   65    66   795.000  1.237
   65    68   645.000  1.280
   68    71   355.000  1.315
   71    75   382.000  1.448
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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  111.63000
   29    33    54    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    54    50    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    60    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    50    80.00000  108.62000
   45    48    49    37.50000  110.70000
   45    48    52   100.00000   86.36000
   45    48    56    80.00000  110.05700
   45    50    52   100.00000   93.00000
   45    50    54    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    52    53    60.00000  136.58000
   48    52    50    95.00000   92.72400
   48    56    57    38.00000  118.40000
   48    56    63    50.00000  121.90000
   52    48    49    40.00000  113.37500
   52    50    54    50.00000  132.10000
   50    45    46    50.00000  112.01000
   50    45    48   105.00000   87.49700
   50    52    53    75.00000  131.60000
   50    54    55    35.00000  109.50000
   50    54    60    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    60    61    70.00000  117.00000
   54    60    62    70.00000  117.00000
   60    54    55    35.00000  109.50000
   62    60    61    80.00000  126.00000
   56    48    49    50.00000  112.01000
   56    48    52    75.00000  110.24000
   56    63    64    80.00000  122.90000
   56    63    67    75.00000  109.57000
   63    56    57    35.00000  119.80000
   63    67    69    75.00000  114.44000
   63    67    70    65.00000  123.79500
   67    63    64    80.00000  120.45000
   67    69    72    60.00000  121.09900
   67    69    85    60.00000  126.00000
   67    70    74   100.00000  109.52600
   69    72    73    35.00000  130.70000
   69    72    79    80.00000  111.29200
   69    85    84    70.00000  110.00000
   72    79    84   120.00000   89.04400
   79    72    73    40.00000  122.38200
   79    84    85    80.00000  114.57700
   79    84    86    70.00000  122.29500
   84    86    87    35.00000  113.50000
   84    86    88    35.00000  113.50000
   85    69    72    70.00000  111.00000
   86    84    85    75.00000  125.31200
   88    86    87    35.00000  109.00000
   70    67    69    65.00000  124.33800
   70    74    80   110.00000  106.71400
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    44    47    90.00000  100.00000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    51    65.00000  128.43400
   44    47    71    85.00000  112.68500
   47    51    58    75.00000  109.13600
   47    71    68    80.00000  120.90300
   47    71    75    50.00000  119.50000
   51    58    59    80.00000  126.08800
   51    58    65    75.00000  113.76000
   58    65    66    80.00000  114.00000
   58    65    68    70.00000  119.25000
   65    58    59    80.00000  120.92000
   65    68    71    85.00000  114.46500
   68    65    66    75.00000  134.47000
   68    71    75    85.00000  114.74000
   71    47    51    75.00000  124.36500
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    54    50   0.71400  1.0 1.0
   29    33    54    50   0.04300 -1.0 2.0
   29    33    54    50   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60  -2.17200  1.0 1.0
   29    33    54    60  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    54    60    61   0.00000  1.0 1.0
   33    54    60    62   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   37    33    54    50   0.42250  1.0 1.0
   37    33    54    50  -0.48100 -1.0 2.0
   37    33    54    50   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    60  -0.84850  1.0 1.0
   37    33    54    60  -0.22800 -1.0 2.0
   37    33    54    60   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    50   0.01700  1.0 1.0
   37    43   -45    50  -0.23550 -1.0 2.0
   37    43   -45    50   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    49   0.00000  1.0 1.0
   43    45    48    52   0.00000  1.0 1.0
   43    45    48    56   0.00000  1.0 1.0
   43    45   -50    52   0.00000  1.0 1.0
   43    45    50    54   0.00000  1.0 1.0
   45    48    52    53  -0.11250  1.0 1.0
   45    48    52    53   0.11400 -1.0 2.0
   45    48    52    53  -0.28950  1.0 3.0
   45    48   -52    50   3.00000 -1.0 2.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    63  -0.43950  1.0 1.0
   45    48    56    63  -0.08100 -1.0 2.0
   45    48    56    63   0.03350  1.0 3.0
   45    50   -54    33   0.00000  1.0 1.0
   45    50    54    55   0.00000  1.0 1.0
   45    50    54    60   0.00000  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    52   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45   -50    52   0.00000  1.0 1.0
   46    45    50    54   0.00000  1.0 1.0
   48    45   -50    52   0.00000  1.0 1.0
   48    45    50    54   0.00000  1.0 1.0
   48    52   -50    45   3.00000 -1.0 2.0
   48    52   -50    54   3.00000 -1.0 2.0
   48    56    63    64   3.04450 -1.0 2.0
   48    56    63    67   1.49850  1.0 1.0
   48    56    63    67   1.53950 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    50   0.00000  1.0 1.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    63   0.00000  1.0 1.0
   52    48    56    57   0.00000  1.0 1.0
   52    48    56    63  -0.42300  1.0 1.0
   52    48    56    63  -0.07000 -1.0 2.0
   52    48    56    63   0.04150  1.0 3.0
   52    50    54    33   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    60   0.00000  1.0 1.0
   53    52   -50    45   3.00000 -1.0 2.0
   53    52    50    54   3.00000 -1.0 2.0
   50    45   -48    49   0.15000  1.0 3.0
   50    45   -48    52   3.00000 -1.0 2.0
   50    45    48    56   2.20050  1.0 1.0
   50    45    48    56   0.63450 -1.0 2.0
   50    45    48    56  -0.91300  1.0 3.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    62   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    43   0.44750  1.0 1.0
   54    33   -37    43  -0.17800 -1.0 2.0
   54    33   -37    43   0.20200  1.0 3.0
   54    33    40    41   0.15000  1.0 3.0
   54    33    40    42   0.15000  1.0 3.0
   54    33    40    44   0.44750  1.0 1.0
   54    33    40    44  -0.17800 -1.0 2.0
   54    33    40    44   0.20200  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   56    48    52    53   0.30150 -1.0 2.0
   56    48   -52    50   0.00000  1.0 1.0
   56    63    67    69   1.50000 -1.0 2.0
   56    63    67    70   1.50000 -1.0 2.0
   57    56    63    64   2.45000 -1.0 2.0
   57    56    63    67   2.56700 -1.0 2.0
   63    67    69    72   0.30050 -1.0 2.0
   63    67    69    72   0.16600  1.0 3.0
   63    67    69    85   0.30050 -1.0 2.0
   63    67    69    85   0.16600  1.0 3.0
   63    67    70    74   6.00000 -1.0 2.0
   64    63    67    69   1.00000 -1.0 2.0
   64    63    67    70   1.00000 -1.0 2.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69    72    79   3.62500 -1.0 2.0
   67    69    85    84   3.62500 -1.0 2.0
   67    70    74    80   1.50000 -1.0 2.0
   69    67    70    74   6.00000 -1.0 2.0
   69    72   -79    84   3.62500 -1.0 2.0
   72    69   -85    84   2.40000 -1.0 2.0
   72    79   -84    85   3.62500 -1.0 2.0
   72    79    84    86   3.62500 -1.0 2.0
   73    72    79    84   3.62500 -1.0 2.0
   79    84   -85    69   3.62500 -1.0 2.0
   79    84    86    87   0.47600 -1.0 2.0
   79    84    86    88   0.47600 -1.0 2.0
   85    69    72    73   3.62500 -1.0 2.0
   85    69   -72    79   3.62500 -1.0 2.0
   85    84    86    87   1.75000 -1.0 2.0
   85    84    86    88   1.75000 -1.0 2.0
   86    84    85    69   3.62500 -1.0 2.0
   70    67    69    72   1.02250 -1.0 2.0
   70    67    69    85   1.02250 -1.0 2.0
   70    74    80    81   0.37500  1.0 3.0
   70    74    80    82   0.37500  1.0 3.0
   70    74    80    83   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    54    50   0.42250  1.0 1.0
   40    33    54    50  -0.48100 -1.0 2.0
   40    33    54    50   0.35650  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    60  -0.84850  1.0 1.0
   40    33    54    60  -0.22800 -1.0 2.0
   40    33    54    60   0.29250  1.0 3.0
   40    44    47    51   2.00000 -1.0 2.0
   40    44    47    71   2.00000 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    51    58   6.00000 -1.0 2.0
   44    47    71    68   1.00000 -1.0 2.0
   44    47    71    75   1.00000 -1.0 2.0
   47    51    58    59   3.09300 -1.0 2.0
   47    51    58    65   1.50000 -1.0 2.0
   47    71    75    76   0.00000  1.0 1.0
   47    71    75    77   0.00000  1.0 1.0
   47    71    75    78   0.00000  1.0 1.0
   51    47    71    68   1.00000 -1.0 2.0
   51    47    71    75  -0.86000  1.0 1.0
   51    47    71    75   0.84650 -1.0 2.0
   51    58    65    66   1.50000 -1.0 2.0
   51    58   -65    68   1.50000 -1.0 2.0
   58    65    68    71   6.00000 -1.0 2.0
   59    58    65    66   1.00000 -1.0 2.0
   59    58    65    68   1.00000 -1.0 2.0
   65    68   -71    47   2.00000 -1.0 2.0
   65    68    71    75   2.00000 -1.0 2.0
   66    65    68    71   6.00000 -1.0 2.0
   68    71    75    76   0.00000  1.0 1.0
   68    71    75    77   0.00000  1.0 1.0
   68    71    75    78   0.00000  1.0 1.0
   71    47   -51    58   6.00000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   48    50    52    53  10.50000 -1.0 2.0
   54    52    50    45   1.00000 -1.0 2.0
   61    54    60    62  10.50000 -1.0 2.0
   57    63    56    48   1.00000 -1.0 2.0
   56    67    63    64  10.50000 -1.0 2.0
   63    69    67    70  10.50000 -1.0 2.0
   72    85    69    67   4.00000 -1.0 2.0
   79    73    72    69   1.10000 -1.0 2.0
   85    86    84    79   4.00000 -1.0 2.0
   88    84    86    87   1.00000 -1.0 2.0
   44    71    47    51  10.50000 -1.0 2.0
   51    65    58    59  10.50000 -1.0 2.0
   58    66    65    68  10.50000 -1.0 2.0
   75    47    71    68   1.00000 -1.0 2.0
END
