* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    119    193     350
    1     0 S   NP   _N1_     1    29.44316    98.14032   -22.74149
    2     1 S   H    _HN1     2     1.02793   106.36269   -93.11046
    3     1 S   H    _H1_     3     1.02947    59.89280     8.99414
    4     1 S   H    _H2_     4     1.02827    50.10950   166.99760
    5     1 S   CT   _CA1     5     1.50122   141.14485    94.58094
    6     5 S   HC   _HA1     6     1.09574   105.16336   110.69814
    7     5 S   CO3  _C1_     7     1.53770   112.49924    -9.51054
    8     7 S   O2Z  _O11     8     1.26376   115.00172   -41.81346
    9     7 S   O2Z  _O12     9     1.26239   114.94605   137.24820
   10     5 S   CT   _CB1    10     1.53067   107.41647  -131.31640
   11    10 S   HC   HB11    11     1.09839   109.32783   -49.40676
   12    10 S   HC   HB12    12     1.09810   110.47588    67.19629
   13    10 S   CT   _CG1    13     1.53013   112.62697  -170.34482
   14    13 S   HC   HG11    14     1.09570   110.72593   -67.44015
   15    13 S   HC   HG12    15     1.09674   109.68737    51.79329
   16    13 S   C    _CD1    16     1.51816   112.04592   172.28434
   17    16 S   O    _OE1    17     1.22747   123.19104    12.17370
   18    16 S   N    _N2_    18     1.38645   111.76235  -167.80825
   19    18 S   H    _HN2    19     1.01569   119.00739     1.26733
   20    18 S   CT1  _CA2    20     1.46233   123.41362   176.47397
   21    20 S   HC   _HA2    21     1.09718   109.24964     8.76130
   22    20 S   C    _C2_    22     1.53802   109.35765  -107.04132
   23    22 S   O    _O2_    23     1.23101   122.06584  -154.07047
   24    20 S   CT   _CB2    32     1.53278   111.46277   130.82801
   25    24 S   HC   HB21    33     1.09466   109.52320    55.94715
   26    24 S   HC   HB22    34     1.09430   110.11565   175.28565
   27    22 S   N    _N3_    24     1.38245   114.12868    33.26708
   28    27 S   H    _HN3    25     1.01516   119.60196    -3.70565
   29    24 S   S    _SG2    35     1.82325   112.11392   -64.45465
   30    27 S   CT   _CA3    26     1.45279   123.31010   177.56482
   31    30 S   HC   HA31    27     1.09548   107.58488   -62.56115
   32    30 S   HC   HA32    28     1.09542   107.94079    53.90586
   33    29 S   CT   _C16    36     1.83149    99.57725   174.86256
   34    33 S   HC   _H3_    37     1.09174   108.49774   -50.77593
   35    30 S   CO3  _C3_    29     1.52983   113.97055   175.75679
   36    35 S   O2Z  _O31    30     1.26403   116.05584    -2.77446
   37    35 S   O2Z  _O32    31     1.26424   114.46122   177.22484
   38    33 S   CM   _C15    38     1.50345   111.98296    75.11460
   39    38 S   HC   _H11    39     1.09213   115.22309    38.67088
   40    33 S   CO3  _C17    66     1.53852   102.81993  -166.17373
   41    40 S   O2Z  _O34    67     1.26533   117.27754   -76.97928
   42    40 S   O2Z  _O33    68     1.26837   114.29856   103.26819
   43    38 S   CMA  _C14    40     1.35592   128.02430  -146.18644
   44    43 S   OM   _O35    41     1.26128   127.83884  -172.18877
   45    43 S   NE   _N4_    42     1.38430   123.85777     2.15422
   46    45 S   H    _H10    43     1.01479   112.90580  -143.16913
   47    45 S   CA   _C13    44     1.40918   129.07213    60.98074
   48    47 S   CA   _C12    45     1.39848   119.13119  -163.67061
   49    48 S   HA   _H9_    46     1.08803   120.02306    -1.77123
   50    48 S   CA   _C11    47     1.40339   121.14211   177.33097
   51    50 S   HA   _H8_    48     1.08690   116.86646  -179.64946
   52    50 S   CA   _C10    49     1.41533   121.97915    -0.23239
   53    52 S   CA   _C8_    50     1.42008   125.66366  -179.34091
   54    52 S   CA   _C19    63     1.39210   115.32141     0.50358
   55    53 S   CA   _C9_    51     1.41651   123.72674    -0.32805
   56    55 S   HA   _H7_    52     1.08725   121.07902    -0.12354
   57    47 S   CA   _C18    64     1.39467   123.17492    13.76806
   58    57 S   HA   _H12    65     1.08645   120.38986     3.80303
   59    55 S   CA   _C4_    53     1.39888   122.18843   179.88131
   60    59 S   HA   _H4_    54     1.08644   119.89494   180.00000
   61    59 S   CA   _C5_    55     1.38703   120.02777    -0.00000
   62    61 S   HA   _H5_    56     1.08589   120.28487  -180.00000
   63    61 S   CA   _C6_    57     1.39027   119.48353     0.00000
   64    63 S   HA   _H6_    58     1.08754   118.57094  -179.97202
   65    53 S   CA   _C7_    59     1.40540   120.02794   179.54673
   66    65 S   CO4  _C20    60     1.48197   121.05772     0.10835
   67    66 S   O    _O37    61     1.22396   122.27987  -179.66196
   68    66 S   OS   _O36    62     1.38456   115.98215     0.45241
  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   8   5   4   3
   9   6   2   1   1   9   4   3   1   1   6   3   8   3   9   8
   4   8   3  11  13   7   8   4   3   1   6   3   5   3   5   2
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    40    41    42  
   38    39    43    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    47    40    41    42  
   43    44    45    40  
   41    42    43  
   42  
    0  
   44    45    46    47    48    57  
   45    46    47  
   46    47    48    49    50    54    57    58  
   47    48    57  
   48    49    50    51    52    68    54    57    58  
   49    50    51    52    53    54    57    58  
   50    51    52    57  
   51    52    53    55    65    68    54    57  
   52    53    54  
   53    55    56    59    63    65    66    68    54    57    58  
   55    56    59    60    61    63    64    65    66    67    68    54    57  
   57    58    55    65    66    67    68  
   56    59    60    61    62    63    65    66  
   59    60    61    65  
   58    66    68  
   68  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66    67    68  
   65    66  
   66    67    68  
   67    68  
   68  
    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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.0000   0.1700  -0.215000   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   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    45   415.000  1.382
   45    46   434.000  1.010
   45    47   481.000  1.340
   47    48   469.000  1.400
   47    57   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   375.000  1.464
   52    54   469.000  1.400
   53    55   469.000  1.400
   53    65   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   310.000  1.470
   66    67   570.000  1.229
   66    68   214.000  1.327
   68    54   450.000  1.364
   54    57   469.000  1.400
   57    58   367.000  1.080
   40    41   656.000  1.250
   40    42   656.000  1.250
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  112.20000
   29    33    40    70.00000  116.78000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    70.00000  117.00000
   33    40    42    70.00000  117.00000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    45    75.00000  114.40000
   43    38    39    40.00000  120.50800
   43    45    46    50.00000  121.48000
   43    45    47    75.00000  121.78000
   45    43    44   105.00000  113.92000
   45    47    48    70.00000  120.10000
   45    47    57    70.00000  120.10000
   47    45    46    35.00000  113.50000
   47    48    49    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    57    54    63.00000  120.00000
   47    57    58    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    60.00000  122.76000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    55    60.00000  122.76000
   52    53    65    60.00000  122.76000
   52    54    68    70.00000  120.00000
   52    54    57    63.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    59    63.00000  120.00000
   53    65    63    63.00000  120.00000
   53    65    66    60.00000  119.52600
   55    59    60    35.00000  120.00000
   55    59    61    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    60.00000  119.52600
   65    53    55    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    75.00000  123.78400
   65    66    68    81.00000  111.40000
   66    68    54    85.00000  115.98000
   68    66    67    83.00000  123.40000
   68    54    57    70.00000  120.00000
   54    52    53    60.00000  122.76000
   54    57    58    35.00000  120.00000
   57    47    48    63.00000  120.00000
   40    33    34    35.00000  109.50000
   40    33    38    65.00000  111.94000
   42    40    41    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    42   0.30150 -1.0 2.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    42   0.30150 -1.0 2.0
   38    43    45    46   1.00000 -1.0 2.0
   38    43    45    47  -0.54500  1.0 1.0
   38    43    45    47   1.14150 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    45   7.00000 -1.0 2.0
   43    45    47    48   0.70250  1.0 1.0
   43    45    47    48   1.56150 -1.0 2.0
   43    45    47    57   0.70250  1.0 1.0
   43    45    47    57   1.56150 -1.0 2.0
   44    43    45    46   1.00000 -1.0 2.0
   44    43    45    47   1.00000 -1.0 2.0
   45    47    48    49   3.62500 -1.0 2.0
   45    47    48    50   3.62500 -1.0 2.0
   45    47    57    54   3.62500 -1.0 2.0
   45    47    57    58   3.62500 -1.0 2.0
   46    45    47    48   1.00000 -1.0 2.0
   46    45    47    57   1.00000 -1.0 2.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    52   3.62500 -1.0 2.0
   48    47    57    54   3.62500 -1.0 2.0
   48    47    57    58   3.62500 -1.0 2.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50   -52    54   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    55  -0.19450  1.0 1.0
   50    52    53    55   0.63300 -1.0 2.0
   50    52    53    55   0.07450  1.0 3.0
   50    52    53    65  -0.19450  1.0 1.0
   50    52    53    65   0.63300 -1.0 2.0
   50    52    53    65   0.07450  1.0 3.0
   50    52    54    68   3.62500 -1.0 2.0
   50    52    54    57   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    59   3.62500 -1.0 2.0
   52    53    65    63   3.62500 -1.0 2.0
   52    53    65    66   3.62500 -1.0 2.0
   52    54   -57    47   3.62500 -1.0 2.0
   52    54    57    58   3.62500 -1.0 2.0
   53    52    54    68   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55    59    61   3.62500 -1.0 2.0
   53    65    66    67   1.05000 -1.0 2.0
   53    65   -66    68   0.98750 -1.0 2.0
   55    53    65    63   3.62500 -1.0 2.0
   55    53    65    66   3.62500 -1.0 2.0
   55    59    61    62   3.62500 -1.0 2.0
   55    59   -61    63   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    61   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61    63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63   -65    53   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   1.05000 -1.0 2.0
   63    65    66    68   0.98750 -1.0 2.0
   64    63    65    53   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    53    55    56   3.62500 -1.0 2.0
   65    53   -55    59   3.62500 -1.0 2.0
   65    66    68    54   2.00000 -1.0 2.0
   66    68   -54    52   0.01300  1.0 1.0
   66    68   -54    52   0.97950 -1.0 2.0
   66    68   -54    52  -0.55700  1.0 3.0
   66    68    54    57   0.01300  1.0 1.0
   66    68    54    57   0.97950 -1.0 2.0
   66    68    54    57  -0.55700  1.0 3.0
   67    66    68    54   3.00000 -1.0 2.0
   68    54    57    47   3.62500 -1.0 2.0
   68    54    57    58   3.62500 -1.0 2.0
   54    52    53    55  -0.19450  1.0 1.0
   54    52    53    55   0.63300 -1.0 2.0
   54    52    53    55   0.07450  1.0 3.0
   54    52   -53    65  -0.19450  1.0 1.0
   54    52   -53    65   0.63300 -1.0 2.0
   54    52   -53    65   0.07450  1.0 3.0
   57    47    48    49   3.62500 -1.0 2.0
   57    47   -48    50   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43  -0.51250  1.0 1.0
   40    33    38    43  -0.88800 -1.0 2.0
   40    33    38    43   0.08850  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
   33    39    38    43  15.00000 -1.0 2.0
   45    44    43    38  15.00000 -1.0 2.0
   46    43    45    47   1.00000 -1.0 2.0
   48    57    47    45   4.00000 -1.0 2.0
   50    49    48    47   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   53    54    52    50   4.00000 -1.0 2.0
   55    65    53    52   4.00000 -1.0 2.0
   59    56    55    53   1.10000 -1.0 2.0
   61    60    59    55   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   63    66    65    53   4.00000 -1.0 2.0
   65    68    66    67  10.50000 -1.0 2.0
   68    57    54    52   4.00000 -1.0 2.0
   54    58    57    47   1.10000 -1.0 2.0
   41    33    40    42  10.50000 -1.0 2.0
END
