* LIGAND DATABASE FILE (OPLS2005)
*
001      60    59    103    150     300
    1     0 S   NP   _N1_     1    28.78086    94.80958   -23.51557
    2     1 S   H    _HN1     2     1.02779   100.72379   -88.22549
    3     1 S   H    _H1_     3     1.02985    87.26199    19.81944
    4     1 S   H    _H2_     4     1.02811    25.25172   162.08831
    5     1 S   CT   _CA1     5     1.50192   134.14250   135.68983
    6     5 S   HC   _HA1     6     1.09588   105.19315    71.03237
    7     5 S   CO3  _C1_     7     1.53784   112.48825   -48.88658
    8     7 S   O2Z  _O11     8     1.26345   115.06713   -40.74431
    9     7 S   O2Z  _O12     9     1.26274   114.91014   138.27767
   10     5 S   CT   _CB1    10     1.53031   107.21069  -171.33433
   11    10 S   HC   HB11    11     1.09813   108.97073   -52.54087
   12    10 S   HC   HB12    12     1.09827   110.38682    63.73048
   13    10 S   CT   _CG1    13     1.53025   113.03295  -174.05077
   14    13 S   HC   HG11    14     1.09582   110.09248   -65.10880
   15    13 S   HC   HG12    15     1.09615   110.40535    54.11737
   16    13 S   C    _CD1    16     1.51767   111.80711   173.78833
   17    16 S   O    _OE1    17     1.22751   123.00463   -22.16526
   18    16 S   N    _N2_    18     1.38582   112.19261   159.53647
   19    18 S   H    _HN2    19     1.01559   119.20374     3.34527
   20    18 S   CT1  _CA2    20     1.46033   123.12115  -177.85406
   21    20 S   HC   _HA2    21     1.09583   109.35062     4.23947
   22    20 S   C    _C2_    22     1.53561   109.23296  -111.24624
   23    22 S   O    _O2_    23     1.23078   121.98001  -146.24743
   24    20 S   CT   _CB2    32     1.53413   111.62202   126.20567
   25    24 S   HC   HB21    33     1.09700   109.25045    66.74825
   26    24 S   HC   HB22    34     1.09523   110.76789  -176.95393
   27    22 S   N    _N3_    24     1.38432   113.81307    41.09084
   28    27 S   H    _HN3    25     1.01483   119.06204    -0.06256
   29    24 S   S    _SG2    35     1.83164   115.81324   -52.42610
   30    27 S   CT   _CA3    26     1.45447   123.40504   175.72644
   31    30 S   HC   HA31    27     1.09525   109.32752    24.18873
   32    30 S   HC   HA32    28     1.09507   107.13307   141.11653
   33    29 S   CT   _C12    36     1.83362   101.84383   -59.87940
   34    33 S   Cl   CL14    37     1.78832   111.77739   -61.07344
   35    33 S   HC   _H3_    38     1.09155   107.67644    54.87070
   36    30 S   CO3  _C3_    29     1.52872   112.88978   -99.35830
   37    36 S   O2Z  _O31    30     1.26413   115.24446   -51.31805
   38    36 S   O2Z  _O32    31     1.26332   115.10377   129.57991
   39    33 S   CM   _C9_    39     1.52517   110.27926   175.34730
   40    39 S   CM   _C5_    40     1.46451   117.21294    61.15016
   41    40 S   HC   _H18    41     1.08673   116.25934    50.02100
   42    39 S   CMA  _C8_    58     1.35739   122.28911  -120.42707
   43    42 S   OM   _O33    59     1.26024   132.91129     1.22317
   44    42 S   HC   _H21    60     1.09286   112.98109  -178.30107
   45    40 S   CM   _C7_    42     1.34353   124.32719  -128.13298
   46    45 S   HC   _H20    43     1.08831   119.20226    -0.06256
   47    45 S   CT   _C11    44     1.51020   123.51679   179.02482
   48    47 S   Cl   CL13    45     1.80480   106.80556  -118.57137
   49    47 S   HC   _H25    46     1.09734   109.24166    -6.07076
   50    47 S   CT   _C13    47     1.56337   115.60020   116.63408
   51    50 S   Cl   CL15    48     1.82494   108.24041   -59.34367
   52    50 S   CM   _C6_    49     1.52217   112.86000    57.31703
   53    52 S   HC   _H19    50     1.08982   116.21113   -62.46617
   54    50 S   CT   _C10    54     1.54231   110.25945  -174.19846
   55    54 S   HC   _H22    55     1.09666   111.13341    54.63835
   56    54 S   HC   _H23    56     1.09698   111.60758   174.30360
   57    54 S   HC   _H24    57     1.09522   112.23600   -65.34335
   58    52 S   CM   _C4_    51     1.33953   127.53405   117.77382
   59    58 S   HC   _H16    52     1.08542   120.04467   179.89913
   60    58 S   HC   _H17    53     1.08327   122.74676    -0.31898
  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   6   5   4   3
   9   4   3   2   1   1   8  10   4   3   1   1   8   4  11   5
   4  10   7   8   4   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    42    43    44  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    45    46    47    42    43    44  
   41    45    46    47    48    49    50    42    43    44  
   45    46    47    42  
   43    44    45  
   44  
    0  
   46    47    48    49    50    51    52    54  
   47    48    49    50  
   48    49    50    51    52    53    58    54    55    56    57  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    58    59    60    54    55    56    57  
   52    53    58    54    55    56    57  
   53    58    59    60    54    55    56    57  
   58    59    60    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60  
   60  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.104500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   49   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   245.000  1.781
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   380.000  1.444
   39    42   465.000  1.376
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   245.000  1.781
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   245.000  1.781
   50    52   317.000  1.510
   50    54   268.000  1.529
   52    53   340.000  1.080
   52    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   745.000  1.250
   42    44   335.000  1.111
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    85.00000  110.65400
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    70.00000  124.00000
   35    33    34    51.00000  107.60000
   39    33    34    75.00000  111.90500
   39    33    35    35.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    45    70.00000  123.01800
   39    42    43    65.00000  137.10300
   39    42    44    45.00000  105.30000
   40    45    46    35.00000  120.00000
   40    45    47    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    47    48    75.00000  111.90500
   45    47    49    35.00000  109.50000
   45    47    50    70.00000  112.02700
   47    45    46    35.00000  117.00000
   47    50    51    69.00000  109.80000
   47    50    52    70.00000  112.02700
   47    50    54    58.35000  112.70000
   49    47    48    51.00000  107.60000
   50    47    48    69.00000  109.80000
   50    47    49    37.50000  110.70000
   50    52    53    35.00000  117.00000
   50    52    58    70.00000  124.00000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    75.00000  111.90500
   52    58    59    35.00000  120.00000
   52    58    60    35.00000  120.00000
   58    52    53    35.00000  120.00000
   60    58    59    35.00000  117.00000
   54    50    51    69.00000  109.80000
   54    50    52    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    39    40    70.00000  117.34000
   44    42    43    50.00000  124.16400
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    39    40    41   0.00000  1.0 1.0
   33    39    40    45  -0.18600  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    44   7.00000 -1.0 2.0
   34    33    39    40   0.09700  1.0 1.0
   34    33    39    40   0.15600 -1.0 2.0
   34    33    39    40  -0.50800  1.0 3.0
   34    33    39    42   0.09700  1.0 1.0
   34    33    39    42   0.15600 -1.0 2.0
   34    33    39    42  -0.50800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.00000  1.0 1.0
   39    40    45    46   7.00000 -1.0 2.0
   39    40    45    47   7.00000 -1.0 2.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    44   7.00000 -1.0 2.0
   40    45    47    48   0.09700  1.0 1.0
   40    45    47    48   0.15600 -1.0 2.0
   40    45    47    48  -0.50800  1.0 3.0
   40    45    47    49   0.00000  1.0 1.0
   40    45    47    50   0.09850  1.0 1.0
   40    45    47    50   0.15250 -1.0 2.0
   40    45    47    50  -0.50650  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    47   7.00000 -1.0 2.0
   45    47    50    51   0.56750  1.0 1.0
   45    47    50    51  -0.07550 -1.0 2.0
   45    47    50    51   0.20000  1.0 3.0
   45    47    50    52   0.31000  1.0 1.0
   45    47    50    52   0.14700 -1.0 2.0
   45    47    50    52   0.07550  1.0 3.0
   45    47    50    54   0.34400  1.0 1.0
   45    47    50    54   0.09450 -1.0 2.0
   45    47    50    54   0.11100  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.33100  1.0 3.0
   46    45    47    50   0.00000  1.0 1.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    58   0.09850  1.0 1.0
   47    50    52    58   0.15250 -1.0 2.0
   47    50    52    58  -0.50650  1.0 3.0
   47    50    54    55   0.15000  1.0 3.0
   47    50    54    56   0.15000  1.0 3.0
   47    50    54    57   0.15000  1.0 3.0
   48    47    50    51   0.22500  1.0 1.0
   48    47    50    52   0.56750  1.0 1.0
   48    47    50    52  -0.07550 -1.0 2.0
   48    47    50    52   0.20000  1.0 3.0
   48    47    50    54   0.35600  1.0 1.0
   48    47    50    54  -0.14650 -1.0 2.0
   48    47    50    54   0.33350  1.0 3.0
   49    47    50    51   0.27000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    54   0.15000  1.0 3.0
   50    52    58    59   7.00000 -1.0 2.0
   50    52    58    60   7.00000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    58   0.09700  1.0 1.0
   51    50    52    58   0.15600 -1.0 2.0
   51    50    52    58  -0.50800  1.0 3.0
   51    50    54    55   0.27000  1.0 3.0
   51    50    54    56   0.27000  1.0 3.0
   51    50    54    57   0.27000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   53    52    58    59   7.00000 -1.0 2.0
   53    52    58    60   7.00000 -1.0 2.0
   54    50    52    53   0.00000  1.0 1.0
   54    50    52    58   0.09850  1.0 1.0
   54    50    52    58   0.15250 -1.0 2.0
   54    50    52    58  -0.50650  1.0 3.0
   42    39    40    41  -0.18600  1.0 3.0
   42    39    40    45   0.28850  1.0 1.0
   42    39    40    45   2.61350 -1.0 2.0
   42    39    40    45   0.78400  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   39    41    40    45  15.00000 -1.0 2.0
   47    46    45    40  15.00000 -1.0 2.0
   50    53    52    58  15.00000 -1.0 2.0
   59    60    58    52  15.00000 -1.0 2.0
   43    44    42    39  15.00000 -1.0 2.0
END
