* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    160    246     467
    1     0 S   NP   _N1_     1    28.27364    94.30479   -19.04644
    2     1 S   H    _HN1     2     1.02971    81.12971    -9.33743
    3     1 S   H    _H1_     3     1.02818    45.75014   114.99780
    4     1 S   H    _H2_     4     1.02774    81.63035  -119.55578
    5     1 S   CT   _CA1     5     1.50318   156.39631   111.93946
    6     5 S   HC   _HA1     6     1.09580   105.06504    61.76849
    7     5 S   CO3  _C1_     7     1.53913   112.64306   -57.70538
    8     7 S   O2Z  _O11     8     1.26382   115.10702   -30.42185
    9     7 S   O2Z  _O12     9     1.26261   114.97661   148.25191
   10     5 S   CT   _CB1    10     1.52996   107.08632   179.37850
   11    10 S   HC   HB11    11     1.09840   109.21810   -50.16805
   12    10 S   HC   HB12    12     1.09519   110.03956    65.98307
   13    10 S   CT   _CG1    13     1.52933   113.45871  -171.56108
   14    13 S   HC   HG11    14     1.09563   110.61052   -66.99404
   15    13 S   HC   HG12    15     1.09640   109.88208    52.46660
   16    13 S   C    _CD1    16     1.51840   112.08852   173.00827
   17    16 S   O    _OE1    17     1.22730   123.19302     6.87977
   18    16 S   N    _N2_    18     1.38553   111.84498  -173.35979
   19    18 S   H    _HN2    19     1.01512   119.22405     4.05777
   20    18 S   CT1  _CA2    20     1.45896   122.64838   178.63398
   21    20 S   HC   _HA2    21     1.09492   108.49234    29.06082
   22    20 S   C    _C2_    22     1.53138   106.84179   -87.67289
   23    22 S   O    _O2_    23     1.23039   122.85584   -24.39675
   24    20 S   CT   _CB2    32     1.53264   112.31608   152.49986
   25    24 S   HC   HB21    33     1.09670   109.61319    62.41012
   26    24 S   HC   HB22    34     1.09501   111.32531   179.67494
   27    22 S   N    _N3_    24     1.38475   112.83297   158.01691
   28    27 S   H    _HN3    25     1.02113   119.81676    -0.13122
   29    24 S   S    _SG2    35     1.82828   114.15339   -56.84318
   30    27 S   CT   _CA3    26     1.45377   122.69468   179.57989
   31    30 S   HC   HA31    27     1.09492   107.29590  -158.42043
   32    30 S   HC   HA32    28     1.09571   108.27545   -41.81980
   33    29 S   CT   _C11    36     1.83043   100.43154   -69.72372
   34    33 S   HC   _H12    37     1.09421   107.21894  -111.31370
   35    33 S   HC   _H13    38     1.09099   109.55458     6.49785
   36    30 S   CO3  _C3_    29     1.52955   113.99028    81.24190
   37    36 S   O2Z  _O31    30     1.26376   115.82246    44.67825
   38    36 S   O2Z  _O32    31     1.26448   114.86668  -136.36970
   39    33 S   CT   _C10    39     1.52543   110.20814   128.42337
   40    39 S   HC   _H6_    40     1.09832   110.80480    44.66982
   41    39 S   CT   _C9_    41     1.53291   115.36441   167.95389
   42    41 S   HC   _H5_    42     1.09356   113.41570   -83.06569
   43    41 S   CT   _C8_    43     1.52002   100.48214   155.72729
   44    43 S   HC   _H4_    44     1.09663   109.93140    75.67925
   45    41 S   OH   _O34    87     1.42149   113.14060    40.66795
   46    45 S   HO   _H14    88     0.97547   110.22451   -60.77228
   47    43 S   CO   _C7_    45     1.52357   100.45122   -42.13529
   48    47 S   HC   _H3_    46     1.09545   111.23501   -79.22658
   49    43 S   OH   _O35    85     1.41434   113.78053  -162.21062
   50    49 S   HO   _H15    86     0.97217   107.71716   -39.29233
   51    47 S   N*   _N5_    47     1.45029   114.71156   157.25746
   52    39 S   OS   _O33    84     1.44736   109.68078   -72.57542
   53    51 S   CRA  _C4_    48     1.36523   126.04535   -67.45199
   54    53 S   HA   _H11    49     1.08159   122.77012     0.04846
   55    53 S   N5B  _N4_    50     1.31177   111.68116  -180.00000
   56    55 S   C5B  _C5_    51     1.38142   105.43201     0.60781
   57    51 S   C5A  _C6_    52     1.38001   125.94680   114.19904
   58    56 S   C    _C18    79     1.45165   122.23122   179.33914
   59    58 S   O    _O43    80     1.22742   123.59304   173.21985
   60    57 S   NI   _N6_    53     1.35525   120.52224     0.20748
   61    58 S   N    _N8_    81     1.37635   113.64553    -7.54735
   62    61 S   H    _H22    82     1.01746   121.68060    -2.18140
   63    61 S   H    _H23    83     1.01301   120.89590   179.08614
   64    60 S   CDX  _C12    54     1.29393   114.83419   110.83561
   65    64 S   HC   _H16    55     1.10578   122.02131     5.55767
   66    64 S   NE   _N7_    56     1.37156   127.50442  -171.70194
   67    66 S   H    _H17    57     1.01691   118.82055   178.11467
   68    66 S   CO   _C13    58     1.45307   123.63121    13.51223
   69    68 S   HC   _H7_    59     1.09512   109.35988   -62.92981
   70    68 S   CT   _C14    60     1.52603   112.04273   173.45093
   71    70 S   HC   _H8_    61     1.09760   108.93861   160.51881
   72    70 S   CT   _C15    62     1.51844   102.33999   -84.35307
   73    72 S   HC   _H9_    63     1.09394   112.93264  -161.08867
   74    70 S   OH   _O42    77     1.41344   113.75648    39.66108
   75    74 S   HO   _H21    78     0.97239   107.46410  -162.70055
   76    72 S   CT   _C16    64     1.52894   100.53038   -39.95722
   77    76 S   HC   _H10    65     1.09716   109.92575   -81.89380
   78    72 S   OH   _O41    75     1.42413   109.36637    78.57369
   79    78 S   HO   _H20    76     0.97719   108.15312   175.43541
   80    68 S   OS   _O36    66     1.44108   110.18347    57.20107
   81    76 S   CT   _C17    67     1.52168   115.26509   153.15496
   82    81 S   HC   _H18    68     1.09413   110.31060    52.16254
   83    81 S   HC   _H19    69     1.09381   111.05999   -68.94497
   84    81 S   OS   _O37    70     1.42580   109.26920   173.31634
   85    84 S   P3   _P1_    71     1.64874   118.94008  -127.31998
   86    85 S   O2Z  _O39    72     1.52603   103.83323  -175.54271
   87    85 S   O2Z  _O40    73     1.52485   104.28920    64.50766
   88    85 S   O2Z  _O38    74     1.52499   104.47809   -56.02423
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1  11   5
   3   1   9   2   6   3   6   8   7   5   3   5   2   1   1   7
   3   9   4  12   6  11   7  12   7   4   1   9   6   3   1   4
   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    57    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    56    57    60    52    49    50  
   51    53    57    52    49  
   50    51    52  
    0  
   53    54    55    56    57    60    64    58    52  
   53    57  
   54    55    56    57    60    58  
   55    56    57  
   56    57    60    58    59    61  
   57    60    64    58    59    61    62    63  
   60    64    65    66    58    59    61  
   59    61    62    63    60  
   61    62    63  
   64    65    66    67    68  
   62    63  
   63  
    0  
   65    66    67    68    69    70    80  
   66    67    68  
   67    68    69    70    71    72    76    80    74  
   68    69    70    80  
   69    70    71    72    73    76    77    80    81    78    74    75  
   70    71    72    76    80    74  
   71    72    73    76    77    80    81    78    79    74    75  
   72    73    76    80    78    74    75  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78    80  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5500   0.0700   0.121500   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.068200   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.638500   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   60   3.2800   0.1700  -0.389800   1.8540   1.6400   0.005000000   0.000000000
   61   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   63   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.7500   0.1050   0.275900   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   86   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   87   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   88   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   477.000  1.343
   51    57   427.000  1.381
   53    54   367.000  1.080
   53    55   488.000  1.335
   55    56   410.000  1.394
   56    57   520.000  1.370
   56    58   310.000  1.477
   57    60   440.000  1.363
   60    64   650.000  1.285
   64    65   370.000  1.091
   64    66   445.000  1.380
   66    67   434.000  1.010
   66    68   320.000  1.442
   68    69   340.000  1.090
   68    70   250.000  1.527
   68    80   320.000  1.380
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   320.000  1.410
   76    77   340.000  1.090
   76    80   320.000  1.410
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   230.000  1.630
   85    86   525.000  1.516
   85    87   525.000  1.516
   85    88   525.000  1.516
   78    79   553.000  0.945
   74    75   553.000  0.945
   58    59   570.000  1.229
   58    61   490.000  1.335
   61    62   434.000  1.010
   61    63   434.000  1.010
   49    50   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    60.00000  127.66100
   47    51    57    65.00000  127.50000
   51    47    48    55.00000  103.44000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  120.00000
   51    57    56    70.00000  106.30000
   51    57    60    70.00000  120.54000
   53    55    56    70.00000  110.00000
   55    53    54    35.00000  120.00000
   55    56    57    70.00000  111.00000
   55    56    58    65.00000  122.69000
   56    57    60    65.00000  132.24000
   56    58    59    80.00000  122.33200
   56    58    61    75.00000  113.48100
   57    51    53    70.00000  109.80000
   57    60    64    85.00000  107.58000
   60    64    65    45.00000  121.92500
   60    64    66    75.00000  124.36500
   64    66    67    35.00000  119.50000
   64    66    68    50.00000  119.50000
   66    64    65    50.00000  114.66700
   66    68    69    50.00000  108.16000
   66    68    70    85.00000  109.98000
   66    68    80    95.00000  112.71300
   68    66    67    50.00000  113.12000
   68    70    71    45.00000  108.72000
   68    70    72    75.00000  109.43000
   68    70    74    90.00000  111.58700
   68    80    76    60.00000  109.50000
   70    68    69    45.00000  112.01100
   70    72    73    37.50000  110.70000
   70    72    76    58.35000  112.70000
   70    72    78    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    50.00000  109.50000
   72    76    81    58.35000  112.70000
   72    78    79    55.00000  108.50000
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    50.00000  109.50000
   80    68    69    35.00000  109.50000
   80    68    70    90.00000  108.56700
   80    76    77    35.00000  109.50000
   81    76    77    37.50000  110.70000
   81    76    80    50.00000  109.50000
   81    84    85    80.00000  112.68000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   84    85    86   100.00000  107.00000
   84    85    87   100.00000  107.00000
   84    85    88   100.00000  107.00000
   87    85    86   140.00000  114.00000
   88    85    86   140.00000  114.00000
   88    85    87   140.00000  114.00000
   78    72    73    35.00000  109.50000
   78    72    76    50.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   58    56    57    60.00000  124.35000
   58    61    62    35.00000  119.80000
   58    61    63    35.00000  119.80000
   61    58    59    80.00000  122.90000
   63    61    62    35.00000  120.00000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.64600  1.0 1.0
   41    43    47    51   0.58400 -1.0 2.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   1.10250  1.0 1.0
   43    47    51    53   0.01650 -1.0 2.0
   43    47    51    53   0.39100  1.0 3.0
   43    47    51    57   1.10250  1.0 1.0
   43    47    51    57   0.01650 -1.0 2.0
   43    47    51    57   0.39100  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    57    56   0.81400  1.0 1.0
   47    51    57    56   1.55550 -1.0 2.0
   47    51    57    60   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    57   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53   -55    56   5.00000 -1.0 2.0
   51    57    60    64   1.25000 -1.0 2.0
   53    51   -57    56   1.40000 -1.0 2.0
   53    51    57    60   3.62500 -1.0 2.0
   53    55   -56    57   2.40000 -1.0 2.0
   53    55    56    58   3.62500 -1.0 2.0
   54    53    55    56   5.00000 -1.0 2.0
   55    56   -57    51   5.37500 -1.0 2.0
   55    56    57    60   3.62500 -1.0 2.0
   55    56    58    59   1.05000 -1.0 2.0
   55    56    58    61   1.61600  1.0 1.0
   55    56    58    61  -0.04750 -1.0 2.0
   55    56    58    61   0.11700  1.0 3.0
   56    57    60    64   1.25000 -1.0 2.0
   56    58    61    62   2.56700 -1.0 2.0
   56    58    61    63   2.56700 -1.0 2.0
   57    51    53    54   2.32500 -1.0 2.0
   57    51   -53    55   2.32500 -1.0 2.0
   57    56    58    59   1.05000 -1.0 2.0
   57    56    58    61   0.75700  1.0 1.0
   57    56    58    61   0.34650 -1.0 2.0
   57    56    58    61   0.33000  1.0 3.0
   57    56    58    61  -0.28100 -1.0 4.0
   57    60    64    65   4.00000 -1.0 2.0
   57    60    64    66   6.00000 -1.0 2.0
   60    64    66    67   1.50000 -1.0 2.0
   60    64    66    68  -0.86000  1.0 1.0
   60    64    66    68   0.84650 -1.0 2.0
   64    66    68    69   0.00000  1.0 1.0
   64    66    68    70   0.38950  1.0 1.0
   64    66    68    70  -0.47050 -1.0 2.0
   64    66    68    70   0.83150  1.0 3.0
   64    66    68    80   0.75000  1.0 1.0
   64    66    68    80  -0.75000 -1.0 2.0
   65    64    66    67   1.00000 -1.0 2.0
   65    64    66    68   0.00000  1.0 1.0
   66    68    70    71   0.22950  1.0 3.0
   66    68    70    72   0.86200  1.0 1.0
   66    68    70    72   0.12850 -1.0 2.0
   66    68    70    72   0.15950  1.0 3.0
   66    68    70    74   4.07950  1.0 1.0
   66    68    70    74  -0.26450 -1.0 2.0
   66    68    70    74  -0.12150  1.0 3.0
   66    68    80    76  -0.25000  1.0 1.0
   66    68    80    76  -0.75000 -1.0 2.0
   66    68    80    76   0.50000  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    80  -1.49000  1.0 1.0
   67    66    68    80  -2.58450 -1.0 2.0
   68    70    72    73   0.15000  1.0 3.0
   68    70   -72    76   3.97050  1.0 1.0
   68    70    72    78   0.86500  1.0 1.0
   68    70    72    78  -0.17500 -1.0 2.0
   68    70    72    78   0.20800  1.0 3.0
   68    70    74    75  -0.11600  1.0 1.0
   68    70    74    75  -0.09450 -1.0 2.0
   68    70    74    75   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    74   0.23400  1.0 3.0
   69    68    80    76   0.37050  1.0 3.0
   70    68   -80    76   0.06250  1.0 1.0
   70    68   -80    76  -0.01100 -1.0 2.0
   70    68   -80    76   0.28050  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72   -76    80   0.62750  1.0 1.0
   70    72   -76    80  -0.30950 -1.0 2.0
   70    72   -76    80   0.27300  1.0 3.0
   70    72    76    81   0.56750  1.0 1.0
   70    72    76    81  -0.07550 -1.0 2.0
   70    72    76    81   0.20000  1.0 3.0
   70    72    78    79  -0.11600  1.0 1.0
   70    72    78    79  -0.09450 -1.0 2.0
   70    72    78    79   0.21250  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    72    78   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   72    76   -80    68   0.06250  1.0 1.0
   72    76   -80    68  -0.01100 -1.0 2.0
   72    76   -80    68   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84   0.62750  1.0 1.0
   72    76    81    84  -0.30950 -1.0 2.0
   72    76    81    84   0.27300  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79  -0.11600  1.0 1.0
   76    72    78    79  -0.09450 -1.0 2.0
   76    72    78    79   0.21250  1.0 3.0
   76    81    84    85  -2.65550  1.0 1.0
   76    81    84    85  -0.22350 -1.0 2.0
   76    81    84    85   0.24150  1.0 3.0
   77    76    80    68   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    68    70    71   0.23400  1.0 3.0
   80    68   -70    72   0.62750  1.0 1.0
   80    68   -70    72  -0.30950 -1.0 2.0
   80    68   -70    72   0.27300  1.0 3.0
   80    68    70    74   3.69350  1.0 1.0
   80    68    70    74  -1.82950 -1.0 2.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.11900  1.0 1.0
   80    76    81    84  -1.16350 -1.0 2.0
   80    76    81    84  -0.34150  1.0 3.0
   81    76    80    68   0.06250  1.0 1.0
   81    76    80    68  -0.01100 -1.0 2.0
   81    76    80    68   0.28050  1.0 3.0
   81    84    85    86   0.00000  1.0 1.0
   81    84    85    87   0.00000  1.0 1.0
   81    84    85    88   0.00000  1.0 1.0
   82    81    84    85   0.03000  1.0 3.0
   83    81    84    85   0.03000  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   3.69350  1.0 1.0
   78    72    76    80  -1.82950 -1.0 2.0
   78    72    76    81   0.86500  1.0 1.0
   78    72    76    81  -0.17500 -1.0 2.0
   78    72    76    81   0.20800  1.0 3.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   0.86500  1.0 1.0
   74    70    72    76  -0.17500 -1.0 2.0
   74    70    72    76   0.20800  1.0 3.0
   74    70    72    78   3.75450  1.0 1.0
   58    56    57    51   3.62500 -1.0 2.0
   58    56    57    60   3.62500 -1.0 2.0
   59    58    61    62   2.45000 -1.0 2.0
   59    58    61    63   2.45000 -1.0 2.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53   0.10350  1.0 1.0
   52    47    51    53  -0.15350 -1.0 2.0
   52    47    51    57   0.10350  1.0 1.0
   52    47    51    57  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   53    57    51    47   4.00000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    58    56    55   4.00000 -1.0 2.0
   56    60    57    51   4.00000 -1.0 2.0
   66    65    64    60  10.50000 -1.0 2.0
   67    64    66    68   1.00000 -1.0 2.0
   56    61    58    59  10.50000 -1.0 2.0
   63    58    61    62   1.00000 -1.0 2.0
END
