* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    145    227     426
    1     0 S   NP   _N1_     1    28.09056    95.50439   -23.79817
    2     1 S   H    _HN1     2     1.02776   108.45005  -106.89653
    3     1 S   H    _H1_     3     1.02957    81.90656    -0.18131
    4     1 S   H    _H2_     4     1.02835    26.76687   159.79455
    5     1 S   CT   _CA1     5     1.50143   130.10167   109.71202
    6     5 S   HC   _HA1     6     1.09576   105.19191    80.85194
    7     5 S   CO3  _C1_     7     1.53770   112.34658   -39.29107
    8     7 S   O2Z  _O11     8     1.26367   114.98882   -43.90074
    9     7 S   O2Z  _O12     9     1.26233   114.92570   135.08879
   10     5 S   CT   _CB1    10     1.53087   107.40957  -161.27395
   11    10 S   HC   HB11    11     1.09829   109.27514   -50.47681
   12    10 S   HC   HB12    12     1.09814   110.45276    66.06024
   13    10 S   CT   _CG1    13     1.53033   112.70683  -171.54033
   14    13 S   HC   HG11    14     1.09591   110.51927   -65.52789
   15    13 S   HC   HG12    15     1.09660   109.88778    53.68394
   16    13 S   C    _CD1    16     1.51855   112.25989   174.01372
   17    16 S   O    _OE1    17     1.22765   123.26613     2.28379
   18    16 S   N    _N2_    18     1.38569   111.77579  -177.65381
   19    18 S   H    _HN2    19     1.01557   119.07538     3.78486
   20    18 S   CT1  _CA2    20     1.45819   122.78792   177.43815
   21    20 S   HC   _HA2    21     1.09744   108.87657    25.63297
   22    20 S   C    _C2_    22     1.52994   107.10981   -91.26921
   23    22 S   O    _O2_    23     1.22970   123.11775   -25.79593
   24    20 S   CT   _CB2    32     1.53363   112.32184   148.87873
   25    24 S   HC   HB21    33     1.09389   109.74945    54.09446
   26    24 S   HC   HB22    34     1.09387   109.34724   172.89058
   27    22 S   N    _N3_    24     1.38516   112.49605   156.91107
   28    27 S   H    _HN3    25     1.01657   120.31217    -2.21823
   29    24 S   S    _SG2    35     1.82609   110.74460   -67.46137
   30    27 S   CT   _CA3    26     1.45348   122.55139   178.49104
   31    30 S   HC   HA31    27     1.09565   107.88523   -54.31501
   32    30 S   HC   HA32    28     1.09559   107.55517    62.04329
   33    29 S   CT   _C5_    36     1.88016   102.74950   174.70546
   34    30 S   CO3  _C3_    29     1.52900   114.27726  -176.23433
   35    34 S   O2Z  _O31    30     1.26343   116.04846     0.77783
   36    34 S   O2Z  _O32    31     1.26433   114.41768  -179.27747
   37    33 S   CT   _C6_    37     1.57350   112.37117    46.55139
   38    37 S   HC   _H9_    38     1.09838   108.02320   -63.18185
   39    37 S   HC   _H10    39     1.09925   108.49566  -174.90222
   40    33 S   CT   _C18    54     1.60465   111.36692   171.07031
   41    40 S   OM   _O33    55     1.32798   110.71198    70.41164
   42    40 S   HC   _H5_    56     1.09936   103.04265  -163.92815
   43    33 S   CT   _C4_    72     1.55877   107.03337   -68.51283
   44    43 S   HC   _H6_    73     1.09609   112.68987   -52.12327
   45    43 S   HC   _H7_    74     1.09705   110.43013  -172.47306
   46    43 S   HC   _H8_    75     1.09519   112.25917    68.95469
   47    37 S   CT   _C7_    40     1.53756   119.95104    59.13698
   48    47 S   HC   _H11    41     1.09559   106.27549  -147.04912
   49    47 S   HC   _H12    42     1.09307   112.00441   -33.18075
   50    47 S   C4T  _C8_    43     1.53534   112.60715    93.71125
   51    50 S   HC   _H3_    44     1.09887   110.91376    -4.25648
   52    50 S   C4T  _C9_    45     1.57013   117.35444  -134.89787
   53    52 S   HC   _H4_    46     1.10043   111.81703   -32.01706
   54    50 S   C4T  _C11    63     1.58464   118.01204   123.38126
   55    52 S   CM   _C14    47     1.49881   119.23765    98.37831
   56    52 S   C4T  _C10    60     1.55396    87.09399  -144.87427
   57    56 S   HC   _H13    61     1.09480   115.23207   143.53401
   58    56 S   HC   _H14    62     1.09801   114.34751   -90.51317
   59    54 S   CT   _C12    64     1.53189   118.62333    30.69116
   60    59 S   HC   _H15    65     1.09514   111.10312   -76.64778
   61    59 S   HC   _H16    66     1.09580   110.63932   164.10155
   62    59 S   HC   _H17    67     1.09470   112.16255    44.04678
   63    54 S   CT   _C13    68     1.52808   113.18011  -101.50658
   64    63 S   HC   _H18    69     1.09530   110.72128    72.74016
   65    63 S   HC   _H19    70     1.09548   111.73362   -47.20844
   66    63 S   HC   _H20    71     1.09536   110.95739  -167.21389
   67    55 S   CT   _C16    48     1.50787   120.57886    -8.58028
   68    67 S   HC   _H23    49     1.09539   108.54563    62.24300
   69    67 S   HC   _H24    50     1.09798   110.39127   176.86057
   70    55 S   CM   _C15    57     1.34284   117.55982   172.34645
   71    70 S   HC   _H21    58     1.08530   121.61959    -0.35663
   72    70 S   HC   _H22    59     1.08509   121.26703   179.48111
   73    67 S   CT   _C17    51     1.54061   111.82253   -62.55997
   74    73 S   HC   _H25    52     1.10205   107.42259  -105.54782
   75    73 S   HC   _H26    53     1.09159   109.45523     6.02138
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  18   2   1   1  17   7   6  14   6   5   5   2   1   1  11   5
   4  18   7  15   7  12  12  12   3   2   7   3   2   1   3   2
   1   1   8   5   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    73    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    67    73    74    75    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    73    40    41    42    54    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    55    67    68    69    73    74    75  
   42    43    67    73    74    75  
   43    67    73    74    75  
   44    45    46    47    73  
   45    46  
   46  
    0  
   48    49    50    51    52    53    55    56    54    59    63  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    55    67    70    56    57    58    54    59    60    61    62    63    64    65    66  
   52    53    55    56    54    59    63  
   53    55    67    68    69    73    70    71    72    56    57    58    54    59    63  
   55    67    70    56    57    58    54  
   59    60    61    62    63    64    65    66    55    56    57    58  
   67    68    69    73    74    75    70    71    72    56    57    58  
   57    58    59    60    61    62    63    64    65    66    67    70  
   58    59    63  
   59    63  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    73    74    75    70    71    72  
   69    73    74    75    70  
   73    74    75    70  
   71    72    73  
   72  
    0  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   260.000  1.519
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.510
   52    56   268.000  1.529
   55    67   317.000  1.510
   55    70   549.000  1.340
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    54   268.000  1.529
   54    59   260.000  1.519
   54    63   260.000  1.519
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    70.00000  112.98000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    45.00000  112.72800
   47    50    52    65.00000  119.52000
   47    50    54    65.00000  119.52000
   49    47    48    33.00000  107.80000
   50    47    48    45.00000  111.22300
   50    47    49    45.00000  111.22300
   50    52    53    37.50000  110.70000
   50    52    55    70.00000  112.02700
   50    52    56    63.00000   92.00000
   50    54    56    63.00000   92.00000
   50    54    59    65.00000  119.52000
   50    54    63    65.00000  119.52000
   52    50    51    37.50000  110.70000
   52    55    67    65.00000  117.92700
   52    55    70    70.00000  124.00000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    54    63.00000   92.00000
   55    52    53    35.00000  109.50000
   55    67    68    35.00000  109.50000
   55    67    69    35.00000  109.50000
   55    67    73    70.00000  112.02700
   55    70    71    35.00000  120.00000
   55    70    72    35.00000  120.00000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    40    41    50.00000  109.50000
   73    40    42    37.50000  110.70000
   75    73    74    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    73    75    37.50000  110.70000
   42    40    41    45.00000  125.66300
   70    55    67    70.00000  124.00000
   72    70    71    35.00000  117.00000
   56    52    53    37.50000  110.70000
   56    52    55    70.00000  112.02700
   56    54    59    65.00000  119.52000
   56    54    63    65.00000  119.52000
   58    56    57    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000   92.00000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    59    60    45.00000  111.22300
   54    59    61    45.00000  111.22300
   54    59    62    45.00000  111.22300
   54    63    64    45.00000  111.22300
   54    63    65    45.00000  111.22300
   54    63    66    45.00000  111.22300
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    54    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.31550 -1.0 2.0
   33    37    47    50   0.11250  1.0 3.0
   37    33    40    73   0.56750  1.0 1.0
   37    33    40    73  -0.07550 -1.0 2.0
   37    33    40    73   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.15000  1.0 3.0
   37    47    50    52   0.04050  1.0 1.0
   37    47    50    52   0.63700 -1.0 2.0
   37    47    50    52   0.17650  1.0 3.0
   37    47    50    54   0.04050  1.0 1.0
   37    47    50    54   0.63700 -1.0 2.0
   37    47    50    54   0.17650  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    55   0.34400  1.0 1.0
   47    50    52    55   0.09450 -1.0 2.0
   47    50    52    55   0.11100  1.0 3.0
   47    50    52    56  -0.70950  1.0 1.0
   47    50    52    56   0.38400 -1.0 2.0
   47    50   -54    56  -0.70950  1.0 1.0
   47    50   -54    56   0.38400 -1.0 2.0
   47    50    54    59   0.56750  1.0 1.0
   47    50    54    59  -0.07550 -1.0 2.0
   47    50    54    59   0.20000  1.0 3.0
   47    50    54    63   0.56750  1.0 1.0
   47    50    54    63  -0.07550 -1.0 2.0
   47    50    54    63   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    54   0.00000  1.0 1.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.00000  1.0 1.0
   49    47    50    54   0.00000  1.0 1.0
   50    52    55    67   0.46850  1.0 1.0
   50    52    55    67   0.08550 -1.0 2.0
   50    52    55    67   0.09800  1.0 3.0
   50    52    55    70   0.09850  1.0 1.0
   50    52    55    70   0.15250 -1.0 2.0
   50    52    55    70  -0.50650  1.0 3.0
   50    52    56    57   0.15000  1.0 3.0
   50    52    56    58   0.15000  1.0 3.0
   50    52   -56    54   0.00000  1.0 1.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   50    54    59    62   0.00000  1.0 1.0
   50    54    63    64   0.00000  1.0 1.0
   50    54    63    65   0.00000  1.0 1.0
   50    54    63    66   0.00000  1.0 1.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50   -54    56   0.15000  1.0 3.0
   51    50    54    59   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   52    50   -54    56   0.00000  1.0 1.0
   52    50    54    59  -0.70950  1.0 1.0
   52    50    54    59   0.38400 -1.0 2.0
   52    50    54    63  -0.70950  1.0 1.0
   52    50    54    63   0.38400 -1.0 2.0
   52    55    67    68   0.34800  1.0 3.0
   52    55    67    69   0.34800  1.0 3.0
   52    55    67    73   0.46850  1.0 1.0
   52    55    67    73   0.08550 -1.0 2.0
   52    55    67    73   0.09800  1.0 3.0
   52    55    70    71   7.00000 -1.0 2.0
   52    55    70    72   7.00000 -1.0 2.0
   52    56   -54    50   0.00000  1.0 1.0
   52    56   -54    59  -0.70950  1.0 1.0
   52    56   -54    59   0.38400 -1.0 2.0
   52    56   -54    63  -0.70950  1.0 1.0
   52    56   -54    63   0.38400 -1.0 2.0
   53    52    55    67   0.34800  1.0 3.0
   53    52    55    70   0.00000  1.0 1.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    54   0.15000  1.0 3.0
   55    52    56    57   0.15000  1.0 3.0
   55    52    56    58   0.15000  1.0 3.0
   55    52    56    54   0.34400  1.0 1.0
   55    52    56    54   0.09450 -1.0 2.0
   55    52    56    54   0.11100  1.0 3.0
   55    67    73    74   0.15000  1.0 3.0
   55    67    73    75   0.15000  1.0 3.0
   55    67    73    40   0.34400  1.0 1.0
   55    67    73    40   0.09450 -1.0 2.0
   55    67    73    40   0.11100  1.0 3.0
   67    55    70    71   7.00000 -1.0 2.0
   67    55    70    72   7.00000 -1.0 2.0
   67    73    40    33   0.56750  1.0 1.0
   67    73    40    33  -0.07550 -1.0 2.0
   67    73    40    33   0.20000  1.0 3.0
   67    73    40    41   0.62750  1.0 1.0
   67    73    40    41  -0.30950 -1.0 2.0
   67    73    40    41   0.27300  1.0 3.0
   67    73    40    42   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    40   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    40   0.15000  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.23400  1.0 3.0
   74    73    40    42   0.15000  1.0 3.0
   75    73    40    33   0.15000  1.0 3.0
   75    73    40    41   0.23400  1.0 3.0
   75    73    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   70    55    67    68   0.00000  1.0 1.0
   70    55    67    69   0.00000  1.0 1.0
   70    55    67    73   0.09850  1.0 1.0
   70    55    67    73   0.15250 -1.0 2.0
   70    55    67    73  -0.50650  1.0 3.0
   56    52    55    67   0.46850  1.0 1.0
   56    52    55    67   0.08550 -1.0 2.0
   56    52    55    67   0.09800  1.0 3.0
   56    52    55    70   0.09850  1.0 1.0
   56    52    55    70   0.15250 -1.0 2.0
   56    52    55    70  -0.50650  1.0 3.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    62   0.00000  1.0 1.0
   56    54    63    64   0.00000  1.0 1.0
   56    54    63    65   0.00000  1.0 1.0
   56    54    63    66   0.00000  1.0 1.0
   57    56   -54    50   0.15000  1.0 3.0
   57    56    54    59   0.15000  1.0 3.0
   57    56    54    63   0.15000  1.0 3.0
   58    56   -54    50   0.15000  1.0 3.0
   58    56    54    59   0.15000  1.0 3.0
   58    56    54    63   0.15000  1.0 3.0
   54    50   -52    53   0.15000  1.0 3.0
   54    50   -52    55   0.34400  1.0 1.0
   54    50   -52    55   0.09450 -1.0 2.0
   54    50   -52    55   0.11100  1.0 3.0
   54    50   -52    56   0.00000  1.0 1.0
   59    54    63    64   0.15000  1.0 3.0
   59    54    63    65   0.15000  1.0 3.0
   59    54    63    66   0.15000  1.0 3.0
   63    54    59    60   0.15000  1.0 3.0
   63    54    59    61   0.15000  1.0 3.0
   63    54    59    62   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    73   0.56750  1.0 1.0
   43    33    40    73  -0.07550 -1.0 2.0
   43    33    40    73   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   52    67    55    70   1.10000 -1.0 2.0
   71    72    70    55   1.10000 -1.0 2.0
END
