* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    160    234     469
    1     0 S   NP   _N1_     1    30.58923    93.58907   -17.36067
    2     1 S   H    _HN1     2     1.02697    26.10990   115.99303
    3     1 S   H    _H1_     3     1.03303    87.28865   -26.38872
    4     1 S   H    _H2_     4     1.03058   130.34463    83.26466
    5     1 S   CT   _CA1     5     1.49862   106.63711  -138.73517
    6     5 S   HC   _HA1     6     1.09561   105.17988    35.08418
    7     5 S   CO3  _C1_     7     1.53722   112.73209   -85.02984
    8     7 S   O2Z  _O11     8     1.26358   115.20042   -36.88458
    9     7 S   O2Z  _O12     9     1.26285   114.96929   142.26348
   10     5 S   CT   _CB1    10     1.52948   107.24226   153.13343
   11    10 S   HC   HB11    11     1.09854   109.45938   -47.90725
   12    10 S   HC   HB12    12     1.09746   110.18848    68.16773
   13    10 S   CT   _CG1    13     1.53044   113.15758  -169.04197
   14    13 S   HC   HG11    14     1.09520   111.32718   -66.73128
   15    13 S   HC   HG12    15     1.09583   110.87195    52.85116
   16    13 S   C    _CD1    16     1.51379   109.43862   172.01962
   17    16 S   O    _OE1    17     1.22844   121.72630   -93.30550
   18    16 S   N    _N2_    18     1.38403   112.88284    84.30788
   19    18 S   H    _HN2    19     1.01502   119.14958     7.91750
   20    18 S   CT1  _CA2    20     1.46165   123.26130  -172.30466
   21    20 S   HC   _HA2    21     1.09749   108.94310     6.40634
   22    20 S   C    _C2_    22     1.53492   110.33869  -109.62696
   23    22 S   O    _O2_    23     1.23111   121.79414  -155.12424
   24    20 S   CT   _CB2    32     1.53663   111.12843   127.33854
   25    24 S   HC   HB21    33     1.09361   109.40854    61.57312
   26    24 S   HC   HB22    34     1.09505   110.32997  -179.71333
   27    22 S   N    _N3_    24     1.38216   114.12530    32.31792
   28    27 S   H    _HN3    25     1.01567   119.34596    -3.52742
   29    24 S   S    _SG2    35     1.82820   111.27397   -59.62589
   30    27 S   CT   _CA3    26     1.45403   123.59668   174.88366
   31    30 S   HC   HA31    27     1.09528   106.94538   -86.26712
   32    30 S   HC   HA32    28     1.09484   109.10605    30.31068
   33    29 S   CT   _C15    36     1.85887   100.55661   178.15316
   34    33 S   HC   _H3_    37     1.09959   105.77887    43.16805
   35    30 S   CO3  _C3_    29     1.52922   113.86191   153.78794
   36    35 S   O2Z  _O31    30     1.26346   115.96992    17.04728
   37    35 S   O2Z  _O32    31     1.26425   114.50220  -163.17414
   38    33 S   CT   _C14    38     1.55854   109.51737   -72.88843
   39    38 S   HC   _H22    39     1.09756   109.47572   177.55032
   40    38 S   HC   _H23    40     1.09321   109.13543    64.71142
   41    33 S   CT   _C16    68     1.58090   111.06490   160.67283
   42    41 S   OM   _O35    69     1.32928   107.19120  -173.30558
   43    41 S   HC   _H4_    70     1.10067   106.26077    58.00699
   44    38 S   CM   _C13    41     1.50773   115.34220   -61.62573
   45    44 S   HC   _H21    42     1.08899   115.30494   -64.12034
   46    41 S   CT   _C17    71     1.56485   112.05546   -56.64785
   47    46 S   HC   _H24    72     1.10044   110.93435   -62.65451
   48    46 S   HC   _H25    73     1.09447   110.96799    53.05961
   49    44 S   CM   _C12    43     1.34323   127.73811   115.58112
   50    49 S   HC   _H20    44     1.08970   116.94411  -178.13796
   51    46 S   CM   _C18    74     1.51094   114.00362   175.03260
   52    51 S   HC   _H26    75     1.08846   115.38819    89.39068
   53    49 S   CT   _C11    45     1.50177   127.41086    -0.13706
   54    53 S   HC   _H18    46     1.09269   111.88766     9.15234
   55    53 S   HC   _H19    47     1.09207   107.26757  -107.68994
   56    51 S   CM   _C19    76     1.34216   127.02656   -91.55901
   57    56 S   HC   _H27    77     1.08871   117.07234  -178.28115
   58    53 S   CM   _C10    48     1.50217   111.95841   129.60939
   59    58 S   HC   _H17    49     1.08920   115.97298   -47.50798
   60    56 S   CT   _C20    78     1.50326   127.22545     2.43663
   61    60 S   HC   _H28    79     1.09389   111.72328     3.20736
   62    60 S   HC   _H29    80     1.09656   108.12903  -114.26286
   63    58 S   CM   _C9_    50     1.34297   126.91842   134.90364
   64    63 S   HC   _H16    51     1.08878   117.28688   178.73190
   65    60 S   CT   _C21    81     1.53330   110.85175   125.65221
   66    65 S   HC   _H30    82     1.09704   109.95488   -60.48019
   67    65 S   HC   _H31    83     1.09781   109.19772    56.08869
   68    63 S   CT   _C8_    52     1.50281   127.45071    -0.58417
   69    68 S   HC   _H14    53     1.09320   112.17638   -14.86775
   70    68 S   HC   _H15    54     1.09699   107.76351  -130.93418
   71    65 S   CT   _C22    84     1.52624   112.35529   176.07355
   72    71 S   HC   _H32    85     1.09759   108.29057  -167.76170
   73    71 S   HC   _H33    86     1.09708   109.55676   -51.79149
   74    68 S   CT   _C7_    55     1.53203   112.96086   108.93941
   75    74 S   HC   _H12    56     1.09716   108.29829   174.11560
   76    74 S   HC   _H13    57     1.09730   109.79887    57.92011
   77    71 S   CO3  _C23    87     1.52895   116.83759    72.76640
   78    77 S   O2Z  _O34    88     1.26621   114.51424  -159.01981
   79    77 S   O2Z  _O33    89     1.26105   116.85040    22.52246
   80    74 S   CT   _C6_    58     1.53220   112.99647   -64.78974
   81    80 S   HC   _H10    59     1.09609   109.94220    63.28058
   82    80 S   HC   _H11    60     1.09700   109.70567   -54.37987
   83    80 S   CT   _C5_    61     1.52840   111.34734  -175.68643
   84    83 S   HC   _H8_    62     1.09616   110.05371   -54.99012
   85    83 S   HC   _H9_    63     1.09592   109.73208    62.78325
   86    83 S   CT   _C4_    64     1.52016   111.32611  -176.01680
   87    86 S   HC   _H5_    65     1.09361   111.11293   -56.83816
   88    86 S   HC   _H6_    66     1.09477   110.87405    63.38066
   89    86 S   HC   _H7_    67     1.09435   110.32867  -176.92349
  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
  14   8   2   1   1  11   5   4   9   5   4   7   3   7   4   3
   7   4   7   3   7   4   3   8   4   7   3   9   5   4   8   4
   8   5   4   9   5   4   5   4   3   9   5   4   2   1   1   9
   5   4   6   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    41    42    43    46    47    48    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    49    50    53    41    42    43    46  
   40    44    45    49    41  
   44    45    49    41  
   42    43    46    47    48    51    52    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    53    54    55    58  
   49    50    53  
   47    48    51    52    56    57    60  
   48    51    52    56  
   51    52    56  
   50    53    54    55    58    59    63  
   53    54    55    58  
   52    56    57    60    61    62    65  
   56    57    60  
   54    55    58    59    63    64    68  
   55    58    59    63  
   58    59    63  
   57    60    61    62    65    66    67    71  
   60    61    62    65  
   59    63    64    68    69    70    74  
   63    64    68  
   61    62    65    66    67    71    72    73    77  
   62    65    66    67    71  
   65    66    67    71  
   64    68    69    70    74    75    76    80  
   68    69    70    74  
   66    67    71    72    73    77    78    79  
   67    71    72    73    77  
   71    72    73    77  
   69    70    74    75    76    80    81    82    83  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79  
   73    77    78    79  
   77    78    79  
   75    76    80    81    82    83    84    85    86  
   76    80    81    82    83  
   80    81    82    83  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    53   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    59   340.000  1.080
   58    63   549.000  1.340
   63    64   340.000  1.080
   63    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    56   549.000  1.340
   56    57   340.000  1.080
   56    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   317.000  1.522
   77    78   656.000  1.250
   77    79   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    70.00000  112.02700
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  117.00000
   38    44    49    70.00000  124.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    53    70.00000  124.00000
   49    44    45    35.00000  120.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    58    70.00000  110.12100
   53    49    50    35.00000  117.00000
   53    58    59    35.00000  117.00000
   53    58    63    70.00000  124.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    63    64    35.00000  120.00000
   58    63    68    70.00000  124.00000
   63    58    59    35.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    74    70.00000  112.02700
   68    63    64    35.00000  117.00000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    70.00000  112.02700
   43    41    42    45.00000  125.66300
   46    41    42    50.00000  109.50000
   46    41    43    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    56    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    60    70.00000  124.00000
   56    51    52    35.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    65    70.00000  112.02700
   60    56    57    35.00000  117.00000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    77    70.00000  109.69300
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    70.00000  117.00000
   71    77    79    70.00000  117.00000
   73    71    72    33.00000  107.80000
   77    71    72    35.00000  109.50000
   77    71    73    35.00000  109.50000
   79    77    78    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    49   0.09850  1.0 1.0
   33    38    44    49   0.15250 -1.0 2.0
   33    38    44    49  -0.50650  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.34400  1.0 1.0
   33    41    46    51   0.09450 -1.0 2.0
   33    41    46    51   0.11100  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    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    44    49    50   7.00000 -1.0 2.0
   38    44    49    53   7.00000 -1.0 2.0
   39    38    44    45   0.33100  1.0 3.0
   39    38    44    49   0.00000  1.0 1.0
   40    38    44    45   0.33100  1.0 3.0
   40    38    44    49   0.00000  1.0 1.0
   44    49    53    54   0.00000  1.0 1.0
   44    49    53    55   0.00000  1.0 1.0
   44    49    53    58  -0.28300  1.0 1.0
   44    49    53    58   0.26700 -1.0 2.0
   44    49    53    58  -0.63300  1.0 3.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    53   7.00000 -1.0 2.0
   49    53    58    59   0.00000  1.0 1.0
   49    53    58    63  -0.28300  1.0 1.0
   49    53    58    63   0.26700 -1.0 2.0
   49    53    58    63  -0.63300  1.0 3.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    55   0.33100  1.0 3.0
   50    49    53    58   0.00000  1.0 1.0
   53    58    63    64   7.00000 -1.0 2.0
   53    58    63    68   7.00000 -1.0 2.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    63   0.00000  1.0 1.0
   55    53    58    59   0.33100  1.0 3.0
   55    53    58    63   0.00000  1.0 1.0
   58    63    68    69   0.00000  1.0 1.0
   58    63    68    70   0.00000  1.0 1.0
   58    63    68    74   0.09850  1.0 1.0
   58    63    68    74   0.15250 -1.0 2.0
   58    63    68    74  -0.50650  1.0 3.0
   59    58    63    64   7.00000 -1.0 2.0
   59    58    63    68   7.00000 -1.0 2.0
   63    68    74    75   0.15000  1.0 3.0
   63    68    74    76   0.15000  1.0 3.0
   63    68    74    80   0.34400  1.0 1.0
   63    68    74    80   0.09450 -1.0 2.0
   63    68    74    80   0.11100  1.0 3.0
   64    63    68    69   0.33100  1.0 3.0
   64    63    68    70   0.33100  1.0 3.0
   64    63    68    74   0.00000  1.0 1.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    83   0.56750  1.0 1.0
   68    74    80    83  -0.07550 -1.0 2.0
   68    74    80    83   0.20000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80   0.15000  1.0 3.0
   74    80    83    84   0.15000  1.0 3.0
   74    80    83    85   0.15000  1.0 3.0
   74    80    83    86   0.56750  1.0 1.0
   74    80    83    86  -0.07550 -1.0 2.0
   74    80    83    86   0.20000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.34400  1.0 1.0
   41    33    38    44   0.09450 -1.0 2.0
   41    33    38    44   0.11100  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    56   0.09850  1.0 1.0
   41    46    51    56   0.15250 -1.0 2.0
   41    46    51    56  -0.50650  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    51   0.61850  1.0 1.0
   42    41    46    51  -0.22750 -1.0 2.0
   42    41    46    51   0.15300  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   7.00000 -1.0 2.0
   46    51    56    60   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    56   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    56   0.00000  1.0 1.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    62   0.00000  1.0 1.0
   51    56    60    65   0.09850  1.0 1.0
   51    56    60    65   0.15250 -1.0 2.0
   51    56    60    65  -0.50650  1.0 3.0
   52    51    56    57   7.00000 -1.0 2.0
   52    51    56    60   7.00000 -1.0 2.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60    65    71   0.34400  1.0 1.0
   56    60    65    71   0.09450 -1.0 2.0
   56    60    65    71   0.11100  1.0 3.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    62   0.33100  1.0 3.0
   57    56    60    65   0.00000  1.0 1.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    77  -1.63150  1.0 1.0
   60    65    71    77  -0.43550 -1.0 2.0
   60    65    71    77   0.24500  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    71   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    71   0.15000  1.0 3.0
   65    71    77    78   0.41150 -1.0 2.0
   65    71    77    79   0.41150 -1.0 2.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    77  -0.11250  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    77  -0.11250  1.0 3.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   73    71    77    78   0.00000  1.0 1.0
   73    71    77    79   0.00000  1.0 1.0
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    45    44    49  15.00000 -1.0 2.0
   53    50    49    44  15.00000 -1.0 2.0
   53    59    58    63  15.00000 -1.0 2.0
   68    64    63    58  15.00000 -1.0 2.0
   46    52    51    56  15.00000 -1.0 2.0
   60    57    56    51  15.00000 -1.0 2.0
   78    71    77    79  10.50000 -1.0 2.0
END
