* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    158    222     444
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079    34.69648  -170.05758
    3     1 S   H    _H1_     3     1.02079    96.75422   -56.82035
    4     1 S   H    _H2_     4     1.02060    82.81135    51.30567
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.43906    58.92669
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.89140   101.46634   159.98757
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.53700   103.84191   179.97202
   38    37 S   HC   _H34    38     1.08885   114.99079   -90.71631
   39    33 S   CT   _C22    46     1.58712   110.84941    58.04496
   40    39 S   HC   _H55    47     1.09956   106.25293   176.21602
   41    33 S   OS   _O26    85     1.44573   108.45767   -63.25821
   42    37 S   CMA  _C13    39     1.36043   129.19482    89.67171
   43    42 S   OM   _O23    40     1.27006   123.61121     0.06256
   44    39 S   CT   _C16    48     1.54636   112.60855    63.14177
   45    44 S   HC   _H41    49     1.09384   111.59961   -65.45349
   46    44 S   HC   _H42    50     1.09505   110.85576   175.77089
   47    44 S   HC   _H43    51     1.09337   112.17861    55.64243
   48    39 S   CT   _C21    52     1.56505   117.40245   -67.79978
   49    48 S   HC   _H54    53     1.09442   109.73864    48.67211
   50    41 S   CT   _C19    86     1.42257   117.51896   167.19711
   51    50 S   HC   _H50    87     1.09258   109.53728  -179.96574
   52    50 S   HC   _H51    88     1.09276   109.54758    59.16263
   53    50 S   HC   _H52    89     1.09323   108.95318   -60.44040
   54    42 S   OS   _O24    41     1.41665   112.20317   177.65532
   55    48 S   CM   _C11    54     1.50263   116.82744   -77.05599
   56    55 S   HC   _H33    55     1.08621   116.54527   -55.88362
   57    48 S   OS   _O25    80     1.43460   108.86140   162.92747
   58    54 S   CT   _C17    42     1.42786   114.60303   149.97090
   59    58 S   HC   _H44    43     1.09242   109.47715   179.98022
   60    58 S   HC   _H45    44     1.09308   109.48275    59.28860
   61    58 S   HC   _H46    45     1.09180   109.02360   -60.38151
   62    55 S   CM   _C10    56     1.34309   123.22967   125.78716
   63    62 S   HC   _H32    57     1.08756   119.17355     0.29141
   64    57 S   CT   _C18    81     1.41593   111.02839  -153.49431
   65    64 S   HC   _H47    82     1.09298   109.53066  -179.98022
   66    64 S   HC   _H48    83     1.09207   109.57533    59.16861
   67    64 S   HC   _H49    84     1.09270   108.95762   -60.42830
   68    62 S   C5B  _C7_    58     1.47141   125.13780   179.63150
   69    68 S   C5A  _C5_    59     1.37979   124.73692  -179.32973
   70    69 S   HA   _H31    60     1.08101   129.10327    -0.01978
   71    69 S   SA   _S28    61     1.71532   109.58536  -179.97202
   72    71 S   CRA  _C8_    62     1.71568    89.19753     0.01978
   73    72 S   C5B  _C6_    63     1.47905   121.69516   179.92598
   74    68 S   N5B  _N22    79     1.38072   119.38206     0.72145
   75    73 S   C5A  _C4_    64     1.37992   122.50844   180.00000
   76    75 S   HA   _H30    65     1.08110   129.06933     0.11191
   77    75 S   SA   _S29    66     1.71489   109.60850  -179.97202
   78    77 S   CRA  _C9_    67     1.71609    89.18522     0.07402
   79    73 S   N5B  _N21    68     1.38134   121.60741     0.09891
   80    78 S   CT   _C20    69     1.47932   119.10810   179.96574
   81    80 S   HC   _H53    70     1.11102   110.38403    -0.00000
   82    80 S   CT   _C14    71     1.54492   112.90958  -117.68330
   83    82 S   HC   _H35    72     1.09628   111.39932   -59.41078
   84    82 S   HC   _H36    73     1.09498   111.90483  -179.96574
   85    82 S   HC   _H37    74     1.09584   110.20821    60.10823
   86    80 S   CT   _C15    75     1.54512   112.89503   117.69939
   87    86 S   HC   _H38    76     1.09513   110.20469    59.37244
   88    86 S   HC   _H39    77     1.09588   111.85034   -60.52629
   89    86 S   HC   _H40    78     1.09528   111.40495   178.99012
  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
  20   2   1   1  11   5  15   9   7   6   2   7   3   2   1  11
   5   3   2   1   1   4   8   4   5   3   2   1   1   7   3   3
   2   1   1   6   5   3   5   7   7   2   5   3   6  11   4   9
   8   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    39    40    44    48    41    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    54    39    40    44    45    46    47    48    49    55    57    41    50    51    52    53  
   35    36  
   36  
    0  
   38    42    43    54    58    39    40    44    48    41    50  
   42    43    54    39    41  
   40    44    45    46    47    48    49    55    56    62    57    64    41    50    42  
   44    45    46    47    48    49    55    57    41  
   50    51    52    53    42    44    48  
   43    54    58    59    60    61  
   54    58  
   45    46    47    48    49    55    57  
   46    47    48  
   47    48  
   48  
   49    55    56    62    63    68    57    64    65    66    67  
   55    56    62    57    64  
   51    52    53  
   52    53  
   53  
    0  
   58    59    60    61  
   56    62    63    68    69    74    57    64  
   62    63    68    57  
   64    65    66    67    62  
   59    60    61  
   60    61  
   61  
    0  
   63    68    69    70    71    72    74  
   68    69    74  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    74  
   72    73    75    79    74  
   73    75    76    77    78    79    74  
   75    76    77    78    79    80    74  
   75    79  
   76    77    78    79    80  
   77    78    79  
   78    79    80    81    82    86  
   79    80    81    82    83    84    85    86    87    88    89  
   80    81    82    86  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   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  -0.316400   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   0.417900   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   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   71   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   72   3.5500   0.0700   0.300900   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   75   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   77   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   78   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   80   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   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   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   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   317.000  1.510
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    54   440.000  1.360
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    55   317.000  1.510
   48    57   320.000  1.410
   55    56   340.000  1.080
   55    62   549.000  1.340
   62    63   340.000  1.080
   62    68   320.000  1.460
   68    69   520.000  1.370
   68    74   410.000  1.394
   69    70   367.000  1.080
   69    71   265.000  1.745
   71    72   250.000  1.765
   72    73   330.000  1.454
   72    74   488.000  1.335
   73    75   520.000  1.370
   73    79   410.000  1.394
   75    76   367.000  1.080
   75    77   265.000  1.745
   77    78   250.000  1.765
   78    79   488.000  1.335
   78    80   295.000  1.488
   80    81   340.000  1.090
   80    82   268.000  1.529
   80    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    44    58.35000  112.70000
   33    39    48    58.35000  112.70000
   33    41    50    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    54    80.00000  120.01400
   42    37    38    40.00000  120.50800
   42    54    58    90.00000  111.18400
   54    42    43    65.00000  121.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   39    48    49    37.50000  110.70000
   39    48    55    70.00000  112.02700
   39    48    57    50.00000  109.50000
   44    39    40    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    44    58.35000  112.70000
   48    55    56    35.00000  117.00000
   48    55    62    70.00000  124.00000
   48    57    64    60.00000  109.50000
   55    48    49    35.00000  109.50000
   55    62    63    35.00000  120.00000
   55    62    68    60.00000  123.20500
   62    55    56    35.00000  120.00000
   62    68    69    60.00000  120.93500
   62    68    74    70.00000  118.40000
   68    62    63    40.00000  117.26300
   68    69    70    35.00000  130.70000
   68    69    71    80.00000  111.29200
   68    74    72    70.00000  110.00000
   69    71    72   120.00000   89.04400
   71    69    70    40.00000  122.38200
   71    72    73    65.00000  123.00000
   71    72    74    80.00000  114.57700
   72    73    75    55.00000  131.00000
   72    73    79    70.00000  121.90000
   73    75    76    35.00000  130.70000
   73    75    77    80.00000  111.29200
   73    79    78    70.00000  110.00000
   75    77    78   120.00000   89.04400
   77    75    76    40.00000  122.38200
   77    78    79    80.00000  114.57700
   77    78    80    65.00000  125.49400
   78    80    81    45.00000  109.19200
   78    80    82    70.00000  112.56400
   78    80    86    70.00000  112.56400
   79    73    75    70.00000  111.00000
   80    78    79    65.00000  125.57700
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    85    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    37.50000  110.70000
   82    80    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    80    81    37.50000  110.70000
   86    80    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   74    68    69    70.00000  111.00000
   74    72    73    65.00000  126.92000
   57    48    49    35.00000  109.50000
   57    48    55    85.00000  110.90400
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    39    50.00000  109.50000
   41    50    51    35.00000  109.50000
   41    50    52    35.00000  109.50000
   41    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   29    33    41    50   0.14700  1.0 1.0
   29    33    41    50  -1.16150 -1.0 2.0
   29    33    41    50   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    54   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    47   0.15000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    55   0.34400  1.0 1.0
   33    39    48    55   0.09450 -1.0 2.0
   33    39    48    55   0.11100  1.0 3.0
   33    39    48    57   0.62750  1.0 1.0
   33    39    48    57  -0.30950 -1.0 2.0
   33    39    48    57   0.27300  1.0 3.0
   33    41    50    51   0.37050  1.0 3.0
   33    41    50    52   0.37050  1.0 3.0
   33    41    50    53   0.37050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    33    39    48   0.34400  1.0 1.0
   37    33    39    48   0.09450 -1.0 2.0
   37    33    39    48   0.11100  1.0 3.0
   37    33    41    50  -0.77900  1.0 1.0
   37    33    41    50  -0.36900 -1.0 2.0
   37    33    41    50   0.40400  1.0 3.0
   37    42    54    58  -2.26850  1.0 1.0
   37    42    54    58   3.39050 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    54   7.00000 -1.0 2.0
   42    54    58    59   0.08050  1.0 3.0
   42    54    58    60   0.08050  1.0 3.0
   42    54    58    61   0.08050  1.0 3.0
   43    42    54    58   2.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    41    50   0.06250  1.0 1.0
   39    33    41    50  -0.01100 -1.0 2.0
   39    33    41    50   0.28050  1.0 3.0
   39    48    55    56   0.00000  1.0 1.0
   39    48    55    62   0.09850  1.0 1.0
   39    48    55    62   0.15250 -1.0 2.0
   39    48    55    62  -0.50650  1.0 3.0
   39    48    57    64   0.06250  1.0 1.0
   39    48    57    64  -0.01100 -1.0 2.0
   39    48    57    64   0.28050  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    55   0.15000  1.0 3.0
   40    39    48    57   0.23400  1.0 3.0
   44    39    48    49   0.15000  1.0 3.0
   44    39    48    55   0.34400  1.0 1.0
   44    39    48    55   0.09450 -1.0 2.0
   44    39    48    55   0.11100  1.0 3.0
   44    39    48    57   0.62750  1.0 1.0
   44    39    48    57  -0.30950 -1.0 2.0
   44    39    48    57   0.27300  1.0 3.0
   48    39    44    45   0.15000  1.0 3.0
   48    39    44    46   0.15000  1.0 3.0
   48    39    44    47   0.15000  1.0 3.0
   48    55    62    63   7.00000 -1.0 2.0
   48    55    62    68   7.00000 -1.0 2.0
   48    57    64    65   0.37050  1.0 3.0
   48    57    64    66   0.37050  1.0 3.0
   48    57    64    67   0.37050  1.0 3.0
   49    48    55    56   0.33100  1.0 3.0
   49    48    55    62   0.00000  1.0 1.0
   49    48    57    64   0.37050  1.0 3.0
   55    48    57    64  -0.77900  1.0 1.0
   55    48    57    64  -0.36900 -1.0 2.0
   55    48    57    64   0.40400  1.0 3.0
   55    62    68    69   0.15800  1.0 1.0
   55    62    68    69   1.85350 -1.0 2.0
   55    62    68    69  -0.48700  1.0 3.0
   55    62    68    74   0.11450  1.0 1.0
   55    62    68    74   1.85100 -1.0 2.0
   55    62    68    74  -0.49050  1.0 3.0
   56    55    62    63   7.00000 -1.0 2.0
   56    55    62    68   7.00000 -1.0 2.0
   62    68    69    70   3.62500 -1.0 2.0
   62    68    69    71   3.62500 -1.0 2.0
   62    68    74    72   3.62500 -1.0 2.0
   63    62    68    69   0.56550  1.0 3.0
   63    62    68    74   0.54250  1.0 3.0
   68    69   -71    72   3.62500 -1.0 2.0
   69    68   -74    72   2.40000 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    72    73    75   0.13800  1.0 1.0
   71    72    73    75   0.61700 -1.0 2.0
   71    72    73    75   0.18800  1.0 3.0
   71    72    73    79  -0.86650  1.0 1.0
   71    72    73    79   1.49250 -1.0 2.0
   71    72    73    79   0.28400  1.0 3.0
   71    72   -74    68   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   72    73    79    78   3.62500 -1.0 2.0
   73    72    74    68   3.62500 -1.0 2.0
   73    75   -77    78   3.62500 -1.0 2.0
   75    73   -79    78   2.40000 -1.0 2.0
   75    77   -78    79   3.62500 -1.0 2.0
   75    77    78    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    78   -79    73   3.62500 -1.0 2.0
   77    78    80    81   0.00000  1.0 1.0
   77    78    80    82  -1.00500  1.0 1.0
   77    78    80    82  -0.91300 -1.0 2.0
   77    78    80    82   0.11400  1.0 3.0
   77    78    80    86  -1.00500  1.0 1.0
   77    78    80    86  -0.91300 -1.0 2.0
   77    78    80    86   0.11400  1.0 3.0
   78    80    82    83   0.43200  1.0 3.0
   78    80    82    84   0.43200  1.0 3.0
   78    80    82    85   0.43200  1.0 3.0
   78    80    86    87   0.43200  1.0 3.0
   78    80    86    88   0.43200  1.0 3.0
   78    80    86    89   0.43200  1.0 3.0
   79    73    75    76   3.62500 -1.0 2.0
   79    73   -75    77   3.62500 -1.0 2.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.29300  1.0 1.0
   79    78    80    82  -1.19700 -1.0 2.0
   79    78    80    82   0.60900  1.0 3.0
   79    78    80    86   0.29300  1.0 1.0
   79    78    80    86  -1.19700 -1.0 2.0
   79    78    80    86   0.60900  1.0 3.0
   80    78    79    73   3.62500 -1.0 2.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    85   0.15000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    89   0.15000  1.0 3.0
   82    80    86    87   0.15000  1.0 3.0
   82    80    86    88   0.15000  1.0 3.0
   82    80    86    89   0.15000  1.0 3.0
   86    80    82    83   0.15000  1.0 3.0
   86    80    82    84   0.15000  1.0 3.0
   86    80    82    85   0.15000  1.0 3.0
   74    68    69    70   3.62500 -1.0 2.0
   74    68   -69    71   3.62500 -1.0 2.0
   74    72    73    75   0.04300  1.0 1.0
   74    72    73    75   0.58850 -1.0 2.0
   74    72    73    75   0.22750  1.0 3.0
   74    72    73    79   0.60800  1.0 1.0
   74    72    73    79   1.31550 -1.0 2.0
   74    72    73    79   1.01100  1.0 3.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    62   0.39000  1.0 1.0
   57    48    55    62  -0.05800 -1.0 2.0
   57    48    55    62  -0.55150  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   0.62750  1.0 1.0
   41    33    39    44  -0.30950 -1.0 2.0
   41    33    39    44   0.27300  1.0 3.0
   41    33    39    48   0.62750  1.0 1.0
   41    33    39    48  -0.30950 -1.0 2.0
   41    33    39    48   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42  15.00000 -1.0 2.0
   43    54    42    37  15.00000 -1.0 2.0
   48    56    55    62  15.00000 -1.0 2.0
   68    63    62    55  15.00000 -1.0 2.0
   69    74    68    62   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    74    72    71   4.00000 -1.0 2.0
   75    79    73    72   4.00000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   80    79    78    77   4.00000 -1.0 2.0
END
