* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    240     436
    1     0 S   NP   _N1_     1    30.62823    91.16453   -26.25159
    2     1 S   H    _HN1     2     1.02728   102.66368  -113.75054
    3     1 S   H    _H1_     3     1.03598   117.98968     4.02146
    4     1 S   H    _H2_     4     1.02841    10.75850     8.16799
    5     1 S   CT   _CA1     5     1.50624   105.48272   128.55522
    6     5 S   HC   _HA1     6     1.09683   104.92783    55.70212
    7     5 S   CO3  _C1_     7     1.54434   110.60964   -60.32048
    8     7 S   O2Z  _O11     8     1.26024   116.79898  -112.23027
    9     7 S   O2Z  _O12     9     1.26607   113.74118    66.75627
   10     5 S   CT   _CB1    10     1.52858   106.35451   171.30019
   11    10 S   HC   HB11    11     1.09877   109.53238   -49.84918
   12    10 S   HC   HB12    12     1.09474   109.48098    65.63298
   13    10 S   CT   _CG1    13     1.53092   113.99415  -171.21461
   14    13 S   HC   HG11    14     1.09416   111.26957   -50.60898
   15    13 S   HC   HG12    15     1.09580   110.24951    68.90169
   16    13 S   C    _CD1    16     1.51764   110.75268  -171.37201
   17    16 S   O    _OE1    17     1.22871   122.81239   -19.78576
   18    16 S   N    _N2_    18     1.38766   112.71391   160.97089
   19    18 S   H    _HN2    19     1.01557   119.48083     4.46528
   20    18 S   CT1  _CA2    20     1.45969   122.33485  -177.73005
   21    20 S   HC   _HA2    21     1.09567   108.52101    11.80964
   22    20 S   C    _C2_    22     1.53743   110.65799  -103.50404
   23    22 S   O    _O2_    23     1.23161   121.67771  -156.81322
   24    20 S   CT   _CB2    32     1.53656   112.71417   133.16682
   25    24 S   HC   HB21    33     1.09689   109.22303    73.28202
   26    24 S   HC   HB22    34     1.09603   110.10308  -170.74392
   27    22 S   N    _N3_    24     1.38121   114.54169    30.16150
   28    27 S   H    _HN3    25     1.01538   119.75246    -3.38171
   29    24 S   S    _SG2    35     1.83008   117.44213   -46.74184
   30    27 S   CT   _CA3    26     1.45315   123.08530   177.08718
   31    30 S   HC   HA31    27     1.09554   107.50980   -63.95228
   32    30 S   HC   HA32    28     1.09560   107.96758    52.45906
   33    29 S   CT   _C10    36     1.82836   101.90952   -51.42664
   34    33 S   HC   _H4_    37     1.09456   106.58078    65.03691
   35    30 S   CO3  _C3_    29     1.52927   114.16643   174.42817
   36    35 S   O2Z  _O31    30     1.26358   116.06682    -1.54066
   37    35 S   O2Z  _O32    31     1.26430   114.40916   178.53794
   38    33 S   CT   _C11    38     1.53496   116.88508   -56.53911
   39    38 S   HC   _H5_    39     1.09392   112.23097    75.91907
   40    38 S   CM   _C12    40     1.51307   101.66176  -163.71863
   41    38 S   OH   _O33    73     1.42129   111.82908   -47.12316
   42    41 S   HO   _H21    74     0.97221   107.58255  -170.26126
   43    40 S   CT   _C14    41     1.52986   111.02786    22.13662
   44    40 S   CM   _C13    70     1.34024   123.60682  -153.59215
   45    44 S   HC   _H14    71     1.08468   121.26954   177.14439
   46    44 S   HC   _H15    72     1.08477   121.13112    -2.42148
   47    43 S   CT   _C15    42     1.56052   111.51656  -105.05836
   48    47 S   HC   _H6_    43     1.10004   109.88902    11.69418
   49    33 S   CT   _C9_    56     1.55162   112.81080  -175.32060
   50    43 S   CT   _C17    66     1.53401   111.32446   124.88678
   51    50 S   HC   _H18    67     1.09534   111.41714  -171.51684
   52    50 S   HC   _H19    68     1.09557   111.65680    67.58744
   53    50 S   HC   _H20    69     1.09650   111.55498   -51.50756
   54    47 S   CT   _C16    44     1.53495   119.87823  -113.22875
   55    54 S   HC   _H16    45     1.09433   111.94259   -28.66675
   56    54 S   HC   _H17    46     1.09472   111.07302    90.98062
   57    49 S   OH   _O34    57     1.42364   111.52571    49.84835
   58    57 S   HO   _H22    58     0.97303   107.10842   -53.55425
   59    54 S   CT   _C5_    47     1.53777   104.04393  -146.29486
   60    59 S   CT   _C6_    48     1.53365   101.60082    42.01893
   61    60 S   HC   _H10    49     1.09430   114.05907  -162.42682
   62    60 S   HC   _H11    50     1.09728   110.30009    77.07275
   63    59 S   CO3  _C18    59     1.55492   115.38419   -79.74740
   64    63 S   O2Z  _O36    60     1.26345   115.77642   -21.56033
   65    63 S   O2Z  _O35    61     1.26627   115.75311   159.25051
   66    59 S   CT   _C4_    62     1.52892   111.70483   161.56406
   67    66 S   HC   _H7_    63     1.09586   111.31797   -55.02165
   68    66 S   HC   _H8_    64     1.09612   111.64157  -174.89635
   69    66 S   HC   _H9_    65     1.09619   111.18650    64.84526
   70    47 S   CT   _C7_    51     1.54513   106.90886   127.63681
   71    70 S   HC   _H3_    52     1.09446   108.73780  -113.29447
   72    70 S   CT   _C8_    53     1.51910   106.83737     4.31933
   73    72 S   HC   _H12    54     1.09697   111.60486    92.64897
   74    72 S   HC   _H13    55     1.09485   111.82487  -148.38466
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  13   6  17   4   1  22   5   1   1  21  10
  13   7   2   1   1  16   6   5   5   1  13  14   6   5   7   2
   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    72    49    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    70    72    73    74    49    57    58    50    44    41    42  
   38    39    40    43    72    49    57    41  
   36    37  
   37  
    0  
   39    40    43    47    72    49    57    50    44    45    46    41    42  
   40    43    49    44    41    42  
   43    47    48    54    70    72    49    57    50    51    52    53    44    45    46    41    42  
   42    43    44    49  
    0  
   47    48    54    55    56    59    60    70    71    72    73    74    49    57    58    50    51    52    53    44    45    46  
   45    46    47    49    50  
   46  
    0  
   48    54    55    56    59    60    61    62    70    71    72    73    74    49    57    63    66    50    51    52    53  
   54    55    56    59    60    70    71    72    49    50  
   57    58    50    51    52    53    54    60    70    71    72    73    74  
   51    52    53    54    57    70    72  
   52    53  
   53  
    0  
   55    56    59    60    61    62    70    71    72    63    64    65    66    67    68    69  
   56    59    60    70    63    66  
   59    60    70    63    66  
   58    70    72    73    74  
   72  
   60    61    62    70    71    72    63    64    65    66    67    68    69  
   61    62    70    71    72    73    74    63    64    65    66    67    68    69  
   62    70    71    72    63    66  
   70    71    72    63    66  
   64    65    66    67    68    69    70  
   65    66  
   66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   317.000  1.510
   40    44   549.000  1.340
   43    47   268.000  1.529
   43    49   268.000  1.529
   43    50   268.000  1.529
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    70   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   268.000  1.529
   59    63   317.000  1.522
   59    66   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    49   268.000  1.529
   49    57   320.000  1.410
   57    58   553.000  0.945
   63    64   656.000  1.250
   63    65   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   44    45   340.000  1.080
   44    46   340.000  1.080
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    41    50.00000  109.50000
   33    49    43    58.35000  112.70000
   33    49    72    58.35000  112.70000
   33    49    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    65.00000  117.92700
   38    40    44    70.00000  124.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    47    70.00000  112.02700
   40    43    49    70.00000  112.02700
   40    43    50    70.00000  112.02700
   40    44    45    35.00000  120.00000
   40    44    46    35.00000  120.00000
   43    47    48    37.50000  110.70000
   43    47    54    58.35000  112.70000
   43    47    70    58.35000  112.70000
   43    49    72    58.35000  112.70000
   43    49    57    50.00000  109.50000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    59    58.35000  112.70000
   47    70    60    58.35000  112.70000
   47    70    71    37.50000  110.70000
   47    70    72    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    59    60    58.35000  112.70000
   54    59    63    70.00000  109.69300
   54    59    66    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    60    61    37.50000  110.70000
   59    60    62    37.50000  110.70000
   59    60    70    58.35000  112.70000
   59    63    64    70.00000  117.00000
   59    63    65    70.00000  117.00000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    37.50000  110.70000
   60    70    71    37.50000  110.70000
   60    70    72    58.35000  112.70000
   62    60    61    33.00000  107.80000
   70    47    48    37.50000  110.70000
   70    47    54    58.35000  112.70000
   70    60    61    37.50000  110.70000
   70    60    62    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    49    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    49    57    50.00000  109.50000
   74    72    73    33.00000  107.80000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    43    47    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    37.50000  110.70000
   49    57    58    55.00000  108.50000
   63    59    60    70.00000  109.69300
   65    63    64    80.00000  126.00000
   66    59    60    58.35000  112.70000
   66    59    63    70.00000  109.69300
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   50    43    47    58.35000  112.70000
   50    43    49    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   44    40    43    70.00000  124.00000
   46    44    45    35.00000  117.00000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    43   0.44750  1.0 1.0
   29    33    49    43  -0.17800 -1.0 2.0
   29    33    49    43   0.20200  1.0 3.0
   29    33    49    72   0.44750  1.0 1.0
   29    33    49    72  -0.17800 -1.0 2.0
   29    33    49    72   0.20200  1.0 3.0
   29    33    49    57   0.56750  1.0 1.0
   29    33    49    57  -0.07550 -1.0 2.0
   29    33    49    57   0.20000  1.0 3.0
   33    38   -40    43   0.46850  1.0 1.0
   33    38   -40    43   0.08550 -1.0 2.0
   33    38   -40    43   0.09800  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    49    57    58  -0.11600  1.0 1.0
   33    49    57    58  -0.09450 -1.0 2.0
   33    49    57    58   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    49    43   0.15000  1.0 3.0
   34    33    49    72   0.15000  1.0 3.0
   34    33    49    57   0.23400  1.0 3.0
   38    33   -49    43   0.56750  1.0 1.0
   38    33   -49    43  -0.07550 -1.0 2.0
   38    33   -49    43   0.20000  1.0 3.0
   38    33    49    72   0.56750  1.0 1.0
   38    33    49    72  -0.07550 -1.0 2.0
   38    33    49    72   0.20000  1.0 3.0
   38    33    49    57   0.86500  1.0 1.0
   38    33    49    57  -0.17500 -1.0 2.0
   38    33    49    57   0.20800  1.0 3.0
   38    40    43    47   0.46850  1.0 1.0
   38    40    43    47   0.08550 -1.0 2.0
   38    40    43    47   0.09800  1.0 3.0
   38    40   -43    49   0.46850  1.0 1.0
   38    40   -43    49   0.08550 -1.0 2.0
   38    40   -43    49   0.09800  1.0 3.0
   38    40    43    50   0.46850  1.0 1.0
   38    40    43    50   0.08550 -1.0 2.0
   38    40    43    50   0.09800  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40    44    46   7.00000 -1.0 2.0
   39    38    40    43   0.34800  1.0 3.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.07800  1.0 1.0
   40    38    41    42  -0.21500 -1.0 2.0
   40    38    41    42  -0.03150  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    54   0.34400  1.0 1.0
   40    43    47    54   0.09450 -1.0 2.0
   40    43    47    54   0.11100  1.0 3.0
   40    43    47    70   0.34400  1.0 1.0
   40    43    47    70   0.09450 -1.0 2.0
   40    43    47    70   0.11100  1.0 3.0
   40    43   -49    33   0.34400  1.0 1.0
   40    43   -49    33   0.09450 -1.0 2.0
   40    43   -49    33   0.11100  1.0 3.0
   40    43    49    72   0.34400  1.0 1.0
   40    43    49    72   0.09450 -1.0 2.0
   40    43    49    72   0.11100  1.0 3.0
   40    43    49    57   1.05650  1.0 1.0
   40    43    49    57   0.15600 -1.0 2.0
   40    43    49    57   0.53150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    52   0.15000  1.0 3.0
   40    43    50    53   0.15000  1.0 3.0
   43    40    44    45   7.00000 -1.0 2.0
   43    40    44    46   7.00000 -1.0 2.0
   43    47    54    55   0.15000  1.0 3.0
   43    47    54    56   0.15000  1.0 3.0
   43    47    54    59   0.56750  1.0 1.0
   43    47    54    59  -0.07550 -1.0 2.0
   43    47    54    59   0.20000  1.0 3.0
   43    47    70    60   0.56750  1.0 1.0
   43    47    70    60  -0.07550 -1.0 2.0
   43    47    70    60   0.20000  1.0 3.0
   43    47    70    71   0.15000  1.0 3.0
   43    47   -70    72   0.56750  1.0 1.0
   43    47   -70    72  -0.07550 -1.0 2.0
   43    47   -70    72   0.20000  1.0 3.0
   43    49    57    58  -0.11600  1.0 1.0
   43    49    57    58  -0.09450 -1.0 2.0
   43    49    57    58   0.21250  1.0 3.0
   47    43    49    33   0.56750  1.0 1.0
   47    43    49    33  -0.07550 -1.0 2.0
   47    43    49    33   0.20000  1.0 3.0
   47    43   -49    72   0.56750  1.0 1.0
   47    43   -49    72  -0.07550 -1.0 2.0
   47    43   -49    72   0.20000  1.0 3.0
   47    43    49    57   0.86500  1.0 1.0
   47    43    49    57  -0.17500 -1.0 2.0
   47    43    49    57   0.20800  1.0 3.0
   47    43    50    51   0.15000  1.0 3.0
   47    43    50    52   0.15000  1.0 3.0
   47    43    50    53   0.15000  1.0 3.0
   47    54   -59    60   0.56750  1.0 1.0
   47    54   -59    60  -0.07550 -1.0 2.0
   47    54   -59    60   0.20000  1.0 3.0
   47    54    59    63  -1.63150  1.0 1.0
   47    54    59    63  -0.43550 -1.0 2.0
   47    54    59    63   0.24500  1.0 3.0
   47    54    59    66   0.56750  1.0 1.0
   47    54    59    66  -0.07550 -1.0 2.0
   47    54    59    66   0.20000  1.0 3.0
   47    70    72    73   0.15000  1.0 3.0
   47    70    72    74   0.15000  1.0 3.0
   47    70   -72    49   0.56750  1.0 1.0
   47    70   -72    49  -0.07550 -1.0 2.0
   47    70   -72    49   0.20000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    59   0.15000  1.0 3.0
   48    47    70    60   0.15000  1.0 3.0
   48    47    70    71   0.15000  1.0 3.0
   48    47    70    72   0.15000  1.0 3.0
   54    47   -70    60   0.56750  1.0 1.0
   54    47   -70    60  -0.07550 -1.0 2.0
   54    47   -70    60   0.20000  1.0 3.0
   54    47    70    71   0.15000  1.0 3.0
   54    47    70    72   0.56750  1.0 1.0
   54    47    70    72  -0.07550 -1.0 2.0
   54    47    70    72   0.20000  1.0 3.0
   54    59    60    61   0.15000  1.0 3.0
   54    59    60    62   0.15000  1.0 3.0
   54    59   -60    70   0.56750  1.0 1.0
   54    59   -60    70  -0.07550 -1.0 2.0
   54    59   -60    70   0.20000  1.0 3.0
   54    59    63    64   0.41150 -1.0 2.0
   54    59    63    65   0.41150 -1.0 2.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59    66    69   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    63  -0.11250  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    63  -0.11250  1.0 3.0
   56    54    59    66   0.15000  1.0 3.0
   59    60   -70    47   0.56750  1.0 1.0
   59    60   -70    47  -0.07550 -1.0 2.0
   59    60   -70    47   0.20000  1.0 3.0
   59    60    70    71   0.15000  1.0 3.0
   59    60    70    72   0.56750  1.0 1.0
   59    60    70    72  -0.07550 -1.0 2.0
   59    60    70    72   0.20000  1.0 3.0
   60    59    63    64   0.41150 -1.0 2.0
   60    59    63    65   0.41150 -1.0 2.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    69   0.15000  1.0 3.0
   60    70    72    73   0.15000  1.0 3.0
   60    70    72    74   0.15000  1.0 3.0
   60    70    72    49   0.56750  1.0 1.0
   60    70    72    49  -0.07550 -1.0 2.0
   60    70    72    49   0.20000  1.0 3.0
   61    60    70    47   0.15000  1.0 3.0
   61    60    70    71   0.15000  1.0 3.0
   61    60    70    72   0.15000  1.0 3.0
   62    60    70    47   0.15000  1.0 3.0
   62    60    70    71   0.15000  1.0 3.0
   62    60    70    72   0.15000  1.0 3.0
   70    47    54    55   0.15000  1.0 3.0
   70    47    54    56   0.15000  1.0 3.0
   70    47   -54    59   0.56750  1.0 1.0
   70    47   -54    59  -0.07550 -1.0 2.0
   70    47   -54    59   0.20000  1.0 3.0
   70    72    49    33   0.56750  1.0 1.0
   70    72    49    33  -0.07550 -1.0 2.0
   70    72    49    33   0.20000  1.0 3.0
   70    72   -49    43   0.56750  1.0 1.0
   70    72   -49    43  -0.07550 -1.0 2.0
   70    72   -49    43   0.20000  1.0 3.0
   70    72    49    57   0.86500  1.0 1.0
   70    72    49    57  -0.17500 -1.0 2.0
   70    72    49    57   0.20800  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    49   0.15000  1.0 3.0
   72    49    57    58  -0.11600  1.0 1.0
   72    49    57    58  -0.09450 -1.0 2.0
   72    49    57    58   0.21250  1.0 3.0
   73    72    49    33   0.15000  1.0 3.0
   73    72    49    43   0.15000  1.0 3.0
   73    72    49    57   0.23400  1.0 3.0
   74    72    49    33   0.15000  1.0 3.0
   74    72    49    43   0.15000  1.0 3.0
   74    72    49    57   0.23400  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    41   0.86500  1.0 1.0
   49    33    38    41  -0.17500 -1.0 2.0
   49    33    38    41   0.20800  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    54   0.56750  1.0 1.0
   49    43    47    54  -0.07550 -1.0 2.0
   49    43    47    54   0.20000  1.0 3.0
   49    43   -47    70   0.56750  1.0 1.0
   49    43   -47    70  -0.07550 -1.0 2.0
   49    43   -47    70   0.20000  1.0 3.0
   49    43    50    51   0.15000  1.0 3.0
   49    43    50    52   0.15000  1.0 3.0
   49    43    50    53   0.15000  1.0 3.0
   63    59    60    61  -0.11250  1.0 3.0
   63    59    60    62  -0.11250  1.0 3.0
   63    59    60    70  -1.63150  1.0 1.0
   63    59    60    70  -0.43550 -1.0 2.0
   63    59    60    70   0.24500  1.0 3.0
   63    59    66    67  -0.11250  1.0 3.0
   63    59    66    68  -0.11250  1.0 3.0
   63    59    66    69  -0.11250  1.0 3.0
   66    59    60    61   0.15000  1.0 3.0
   66    59    60    62   0.15000  1.0 3.0
   66    59    60    70   0.56750  1.0 1.0
   66    59    60    70  -0.07550 -1.0 2.0
   66    59    60    70   0.20000  1.0 3.0
   66    59    63    64   0.41150 -1.0 2.0
   66    59    63    65   0.41150 -1.0 2.0
   50    43    47    48   0.15000  1.0 3.0
   50    43    47    54   0.56750  1.0 1.0
   50    43    47    54  -0.07550 -1.0 2.0
   50    43    47    54   0.20000  1.0 3.0
   50    43    47    70   0.56750  1.0 1.0
   50    43    47    70  -0.07550 -1.0 2.0
   50    43    47    70   0.20000  1.0 3.0
   50    43    49    33   0.56750  1.0 1.0
   50    43    49    33  -0.07550 -1.0 2.0
   50    43    49    33   0.20000  1.0 3.0
   50    43    49    72   0.56750  1.0 1.0
   50    43    49    72  -0.07550 -1.0 2.0
   50    43    49    72   0.20000  1.0 3.0
   50    43    49    57   0.86500  1.0 1.0
   50    43    49    57  -0.17500 -1.0 2.0
   50    43    49    57   0.20800  1.0 3.0
   44    40    43    47   0.09850  1.0 1.0
   44    40    43    47   0.15250 -1.0 2.0
   44    40    43    47  -0.50650  1.0 3.0
   44    40    43    49   0.09850  1.0 1.0
   44    40    43    49   0.15250 -1.0 2.0
   44    40    43    49  -0.50650  1.0 3.0
   44    40    43    50   0.09850  1.0 1.0
   44    40    43    50   0.15250 -1.0 2.0
   44    40    43    50  -0.50650  1.0 3.0
   41    38    40    43   0.18000  1.0 1.0
   41    38    40    43   0.16450 -1.0 2.0
   41    38    40    43   0.04450  1.0 3.0
   41    38    40    44   0.67800  1.0 1.0
   41    38    40    44   0.47050 -1.0 2.0
   41    38    40    44  -0.62500  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
   38    43    40    44   1.10000 -1.0 2.0
   64    59    63    65  10.50000 -1.0 2.0
   45    46    44    40   1.10000 -1.0 2.0
END
