* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    159    243     467
    1     0 S   NP   _N1_     1    28.56377    93.71213   -22.90720
    2     1 S   H    _HN1     2     1.02781   105.13756   -98.00041
    3     1 S   H    _H1_     3     1.02974    86.14307     9.90782
    4     1 S   H    _H2_     4     1.02819    23.81696   161.77378
    5     1 S   CT   _CA1     5     1.50146   130.64390   123.58142
    6     5 S   HC   _HA1     6     1.09570   105.22388    74.84302
    7     5 S   CO3  _C1_     7     1.53719   112.49909   -45.34911
    8     7 S   O2Z  _O11     8     1.26371   115.08691   -40.78457
    9     7 S   O2Z  _O12     9     1.26243   114.99663   138.43295
   10     5 S   CT   _CB1    10     1.53015   107.30202  -167.22352
   11    10 S   HC   HB11    11     1.09845   109.27823   -50.58458
   12    10 S   HC   HB12    12     1.09763   110.29545    65.69507
   13    10 S   CT   _CG1    13     1.53064   112.91772  -171.57839
   14    13 S   HC   HG11    14     1.09561   110.82952   -65.97838
   15    13 S   HC   HG12    15     1.09659   109.74525    53.36175
   16    13 S   C    _CD1    16     1.51785   111.86954   173.82435
   17    16 S   O    _OE1    17     1.22770   123.08624    11.36035
   18    16 S   N    _N2_    18     1.38552   112.03437  -169.12082
   19    18 S   H    _HN2    19     1.01589   119.10437    -0.70997
   20    18 S   CT1  _CA2    20     1.46189   123.06030   175.64886
   21    20 S   HC   _HA2    21     1.09757   109.25115    -7.87597
   22    20 S   C    _C2_    22     1.53475   108.14852  -122.94396
   23    22 S   O    _O2_    23     1.23021   122.45047  -147.41721
   24    20 S   CT   _CB2    32     1.53230   112.18186   114.25177
   25    24 S   HC   HB21    33     1.09582   110.45792    56.18056
   26    24 S   HC   HB22    34     1.09535   109.95750   175.28690
   27    22 S   N    _N3_    24     1.38392   113.39889    40.06728
   28    27 S   H    _HN3    25     1.01631   119.46353    -3.58583
   29    24 S   S    _SG2    35     1.82472   111.79047   -64.81873
   30    27 S   CT   _CA3    26     1.45274   123.22513   177.02849
   31    30 S   HC   HA31    27     1.09549   107.55097   -63.49679
   32    30 S   HC   HA32    28     1.09555   107.93731    52.93378
   33    29 S   CT   _C17    36     1.82609    98.76995  -171.95870
   34    33 S   HC   _H20    37     1.09531   107.10177    65.18674
   35    33 S   HC   _H21    38     1.09472   108.80540   -51.60471
   36    30 S   CO3  _C3_    29     1.52954   114.06653   174.89857
   37    36 S   O2Z  _O31    30     1.26375   116.05339    -0.59215
   38    36 S   O2Z  _O32    31     1.26420   114.42102   179.45500
   39    33 S   CT   _C16    39     1.53838   113.25204  -174.26226
   40    39 S   HC   _H8_    40     1.09767   107.14596  -179.16444
   41    39 S   CT   _C15    41     1.53333   114.30833    60.28886
   42    41 S   HC   _H7_    42     1.09423   112.36755   -68.52388
   43    39 S   OH   _O41    89     1.42687   110.36579   -63.49230
   44    43 S   HO   _H22    90     0.97245   108.09825   -47.70274
   45    41 S   CO4  _C14    43     1.52449   110.90592   170.90210
   46    45 S   O    _O40    44     1.23286   121.55602   -95.64031
   47    41 S   OH   _O42    87     1.42280   110.57777    51.80405
   48    47 S   HO   _H23    88     0.97328   107.87785    61.05785
   49    45 S   CT   _C13    45     1.51128   117.14637    84.59577
   50    49 S   HC   _H18    46     1.09291   109.71969  -107.42960
   51    49 S   HC   _H19    47     1.09248   111.68708    14.24948
   52    49 S   NG   _N7_    48     1.46794   107.13694   133.73597
   53    52 S   H    _H17    49     1.01499   120.72273   104.07740
   54    52 S   CG   _C12    50     1.32919   121.31476   -74.14322
   55    54 S   HC   _H16    51     1.07178   114.84605    -1.30146
   56    54 S   NG   _N6_    52     1.32043   125.65766   178.57935
   57    56 S   H    _H15    53     1.01844   115.75279     3.92705
   58    56 S   C5A  _C6_    54     1.40326   128.42652  -177.77921
   59    58 S   C5B  _C5_    55     1.38752   122.79469  -173.34654
   60    59 S   N5B  _N4_    56     1.37519   110.61014   179.20796
   61    59 S   C    _C18    82     1.45265   126.94874    -0.26020
   62    61 S   O    _O43    83     1.22788   122.91751    -0.95675
   63    60 S   CRA  _C4_    57     1.31203   105.23954     0.54858
   64    63 S   HA   _H9_    58     1.08096   124.12634  -179.89347
   65    61 S   N    _N8_    84     1.37525   113.94364   179.12330
   66    65 S   H    _H24    85     1.01527   121.86531    -0.06853
   67    65 S   H    _H25    86     1.01365   120.75580   179.98022
   68    58 S   N*   _N5_    59     1.38083   132.26362     7.54722
   69    68 S   CO   _C7_    60     1.44792   127.32214     3.12286
   70    69 S   HC   _H3_    61     1.09710   106.21456    42.66512
   71    69 S   CT   _C8_    62     1.52846   119.26994   165.93168
   72    71 S   HC   _H4_    63     1.09530   112.88080    41.18988
   73    71 S   CT   _C9_    64     1.51901   100.82616   156.90644
   74    73 S   HC   _H5_    65     1.09219   113.51824  -163.45519
   75    71 S   OH   _O39    80     1.41436   113.02983   -83.66344
   76    75 S   HO   _H14    81     0.97250   107.85125    66.14797
   77    73 S   CT   _C10    66     1.52443   100.81921   -41.72656
   78    77 S   HC   _H6_    67     1.09691   110.40585   -80.10594
   79    73 S   OH   _O38    78     1.42598   110.32332    75.17319
   80    79 S   HO   _H13    79     0.97367   106.78920    58.09149
   81    69 S   OS   _O33    68     1.43775   107.44626   -74.56203
   82    77 S   CT   _C11    69     1.52165   115.53916   153.61566
   83    82 S   HC   _H10    70     1.09217   110.99367    54.99422
   84    82 S   HC   _H11    71     1.09391   110.74916   -66.81737
   85    82 S   OS   _O34    72     1.42475   108.07270   173.84231
   86    85 S   P2   _P1_    73     1.63051   119.84384   161.05978
   87    86 S   O2Z  _O37    74     1.51153   108.61312  -178.88267
   88    86 S   O2Z  _O35    75     1.51187   109.67942   -45.29543
   89    86 S   OS   _O36    76     1.62887    99.51967    68.19013
   90    89 S   HO   _H12    77     0.98074   117.48473   -84.14188
  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  10   6  11   6   3   1   9   5   2   1
   7   4   3   6   3   6   3   8   3  12  10   7   6   3   6   2
   2   1   1   8  12   6  11   7  12   7   4   1   9   6   3   1
   4   7   3   2   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    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    52    47    48    43    44  
   45    46    49    47    48    43  
   44    45    47  
    0  
   46    49    50    51    52    53    54    47    48  
   49    50    51    52    47  
   48    49  
    0  
   50    51    52    53    54    55    56  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58  
   54    55    56  
   55    56    57    58    59    68  
   56    57    58  
   57    58    59    60    63    68    69    61  
   58    59    68  
   59    60    63    64    68    69    70    71    81    61    62    65  
   60    63    64    68    69    61    62    65    66    67  
   63    64    68    69    61    62    65  
   62    65    66    67    63    68  
   65    66    67  
   64    68    69    70    71    81  
   68    69  
   66    67  
   67  
    0  
   69    70    71    72    73    77    81    75  
   70    71    72    73    74    77    78    81    82    79    75    76  
   71    72    73    77    81    75  
   72    73    74    77    78    81    82    79    80    75    76  
   73    74    77    81    79    75    76  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79    81  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.192400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.340900   2.2900   2.0360   0.003973653   1.685851020
   53   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   54   2.2500   0.0500   0.227700   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.139100   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.228500   1.8650   1.6500   0.051222218  -2.220205820
   57   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700   0.101000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.121500   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.7500   0.1050   0.638500   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   63   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   67   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   87   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   88   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   89   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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    43   320.000  1.410
   41    42   340.000  1.090
   41    45   317.000  1.522
   41    47   320.000  1.410
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   337.000  1.463
   52    53   434.000  1.010
   52    54   481.000  1.340
   54    55   385.000  1.083
   54    56   481.000  1.340
   56    57   434.000  1.010
   56    58   415.000  1.386
   58    59   520.000  1.370
   58    68   427.000  1.381
   59    60   410.000  1.394
   59    61   310.000  1.477
   60    63   488.000  1.335
   63    64   367.000  1.080
   63    68   477.000  1.343
   68    69   275.000  1.479
   69    70   340.000  1.090
   69    71   250.000  1.527
   69    81   320.000  1.380
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   320.000  1.410
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   320.000  1.410
   77    78   340.000  1.090
   77    81   320.000  1.410
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   320.000  1.410
   85    86   230.000  1.697
   86    87   525.000  1.480
   86    88   525.000  1.480
   86    89   230.000  1.697
   89    90   553.000  0.945
   79    80   553.000  0.945
   75    76   553.000  0.945
   61    62   570.000  1.229
   61    65   490.000  1.335
   65    66   434.000  1.010
   65    67   434.000  1.010
   47    48   553.000  0.945
   43    44   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    43    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    45    63.00000  111.10000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    80.00000  120.40000
   41    45    49    70.00000  116.00000
   41    47    48    55.00000  108.50000
   45    41    42    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    80.00000  111.64100
   49    45    46    80.00000  120.40000
   49    52    53    35.00000  118.40000
   49    52    54    50.00000  123.20000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    45.00000  116.52200
   52    54    56    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    65.00000  118.38100
   56    54    55    45.00000  116.52200
   56    58    59    60.00000  129.49600
   56    58    68    75.00000  119.25000
   58    56    57    20.00000  113.50000
   58    59    60    70.00000  111.00000
   58    59    61    60.00000  124.35000
   58    68    63    70.00000  109.80000
   58    68    69    65.00000  127.50000
   59    60    63    70.00000  110.00000
   59    61    62    80.00000  122.33200
   59    61    65    75.00000  113.48100
   60    63    64    35.00000  120.00000
   60    63    68    70.00000  120.00000
   63    68    69    60.00000  127.66100
   68    58    59    70.00000  106.30000
   68    63    64    35.00000  120.00000
   68    69    70    55.00000  103.44000
   68    69    71    75.00000  107.44000
   68    69    81   105.00000  106.22000
   69    71    72    45.00000  108.72000
   69    71    73    75.00000  109.43000
   69    71    75    90.00000  111.58700
   69    81    77    60.00000  109.50000
   71    69    70    45.00000  112.01100
   71    73    74    37.50000  110.70000
   71    73    77    58.35000  112.70000
   71    73    79    50.00000  109.50000
   71    75    76    55.00000  108.50000
   73    71    72    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    50.00000  109.50000
   73    77    82    58.35000  112.70000
   73    79    80    55.00000  108.50000
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    50.00000  109.50000
   81    69    70    35.00000  109.50000
   81    69    71    90.00000  108.56700
   81    77    78    35.00000  109.50000
   82    77    78    37.50000  110.70000
   82    77    81    50.00000  109.50000
   82    85    86   100.00000  120.50000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   85    86    87   100.00000  108.23000
   85    86    88   100.00000  108.23000
   85    86    89    45.00000  102.60000
   86    89    90    45.00000  108.50000
   88    86    87   140.00000  119.90000
   89    86    87   100.00000  108.23000
   89    86    88   100.00000  108.23000
   79    73    74    35.00000  109.50000
   79    73    77    50.00000  109.50000
   75    71    72    35.00000  109.50000
   75    71    73    50.00000  109.50000
   61    59    60    65.00000  122.69000
   61    65    66    35.00000  119.80000
   61    65    67    35.00000  119.80000
   65    61    62    80.00000  122.90000
   67    65    66    35.00000  120.00000
   47    41    42    35.00000  109.50000
   47    41    45    90.00000  109.61100
   43    39    40    35.00000  109.50000
   43    39    41    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    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45  -0.95700  1.0 1.0
   33    39    41    45  -0.18200 -1.0 2.0
   33    39    41    45   0.29450  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  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    43   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    43   0.23400  1.0 3.0
   39    41    45    46   0.30150 -1.0 2.0
   39    41    45    49   0.60050  1.0 1.0
   39    41    45    49   0.05600 -1.0 2.0
   39    41    45    49   0.26150  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45  -0.11250  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.65300  1.0 1.0
   41    45    49    52  -0.03850 -1.0 2.0
   41    45    49    52   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    49   0.00000  1.0 1.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48   0.91850  1.0 1.0
   45    41    47    48   0.57950  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54  -0.12500  1.0 1.0
   45    49    52    54  -0.12500 -1.0 2.0
   45    49    52    54   0.25000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    52   0.30150 -1.0 2.0
   49    52    54    55  -0.09200  1.0 1.0
   49    52    54    55   0.68550 -1.0 2.0
   49    52    54    56   3.96800 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.08850  1.0 3.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.08850  1.0 3.0
   52    54    56    57   1.50000 -1.0 2.0
   52    54    56    58  -0.27700  1.0 1.0
   52    54    56    58   1.87200 -1.0 2.0
   53    52    54    55   1.00000 -1.0 2.0
   53    52    54    56   1.50000 -1.0 2.0
   54    56    58    59   0.00750  1.0 1.0
   54    56    58    59  -0.23950 -1.0 2.0
   54    56    58    59  -0.39650 -1.0 4.0
   54    56    58    68   0.96250 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    58   0.00000  1.0 1.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   56    58    68    63   3.62500 -1.0 2.0
   56    58    68    69   3.62500 -1.0 2.0
   57    56    58    59   1.75000 -1.0 2.0
   57    56    58    68   1.75000 -1.0 2.0
   58    59   -60    63   2.40000 -1.0 2.0
   58    59    61    62   1.05000 -1.0 2.0
   58    59    61    65   0.75700  1.0 1.0
   58    59    61    65   0.34650 -1.0 2.0
   58    59    61    65   0.33000  1.0 3.0
   58    59    61    65  -0.28100 -1.0 4.0
   58    68    69    70   0.00000  1.0 1.0
   58    68    69    71   1.10250  1.0 1.0
   58    68    69    71   0.01650 -1.0 2.0
   58    68    69    71   0.39100  1.0 3.0
   58    68    69    81   0.10350  1.0 1.0
   58    68    69    81  -0.15350 -1.0 2.0
   59    58   -68    63   1.40000 -1.0 2.0
   59    58    68    69   0.81400  1.0 1.0
   59    58    68    69   1.55550 -1.0 2.0
   59    60    63    64   5.00000 -1.0 2.0
   59    60   -63    68   5.00000 -1.0 2.0
   59    61    65    66   2.56700 -1.0 2.0
   59    61    65    67   2.56700 -1.0 2.0
   60    59    61    62   1.05000 -1.0 2.0
   60    59    61    65   1.61600  1.0 1.0
   60    59    61    65  -0.04750 -1.0 2.0
   60    59    61    65   0.11700  1.0 3.0
   60    63   -68    58   2.32500 -1.0 2.0
   60    63    68    69   3.62500 -1.0 2.0
   63    68    69    70   0.00000  1.0 1.0
   63    68    69    71   1.10250  1.0 1.0
   63    68    69    71   0.01650 -1.0 2.0
   63    68    69    71   0.39100  1.0 3.0
   63    68    69    81   0.10350  1.0 1.0
   63    68    69    81  -0.15350 -1.0 2.0
   64    63    68    58   2.32500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   68    58   -59    60   5.37500 -1.0 2.0
   68    58    59    61   3.62500 -1.0 2.0
   68    69    71    72   0.15000  1.0 3.0
   68    69    71    73  -0.64600  1.0 1.0
   68    69    71    73   0.58400 -1.0 2.0
   68    69    71    75   2.76900  1.0 1.0
   68    69    71    75  -0.24350 -1.0 2.0
   68    69    71    75  -0.78250  1.0 3.0
   68    69    81    77  -2.37750  1.0 1.0
   68    69    81    77  -0.08150 -1.0 2.0
   68    69    81    77   0.59000  1.0 3.0
   69    71    73    74   0.15000  1.0 3.0
   69    71   -73    77   3.97050  1.0 1.0
   69    71    73    79   0.86500  1.0 1.0
   69    71    73    79  -0.17500 -1.0 2.0
   69    71    73    79   0.20800  1.0 3.0
   69    71    75    76  -0.11600  1.0 1.0
   69    71    75    76  -0.09450 -1.0 2.0
   69    71    75    76   0.21250  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    75   0.23400  1.0 3.0
   70    69    81    77   0.37050  1.0 3.0
   71    69   -81    77   0.06250  1.0 1.0
   71    69   -81    77  -0.01100 -1.0 2.0
   71    69   -81    77   0.28050  1.0 3.0
   71    73    77    78   0.15000  1.0 3.0
   71    73   -77    81   0.62750  1.0 1.0
   71    73   -77    81  -0.30950 -1.0 2.0
   71    73   -77    81   0.27300  1.0 3.0
   71    73    77    82   0.56750  1.0 1.0
   71    73    77    82  -0.07550 -1.0 2.0
   71    73    77    82   0.20000  1.0 3.0
   71    73    79    80  -0.11600  1.0 1.0
   71    73    79    80  -0.09450 -1.0 2.0
   71    73    79    80   0.21250  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    77   0.15000  1.0 3.0
   72    71    73    79   0.23400  1.0 3.0
   72    71    75    76   0.19450  1.0 3.0
   73    71    75    76  -0.11600  1.0 1.0
   73    71    75    76  -0.09450 -1.0 2.0
   73    71    75    76   0.21250  1.0 3.0
   73    77   -81    69   0.06250  1.0 1.0
   73    77   -81    69  -0.01100 -1.0 2.0
   73    77   -81    69   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85   0.62750  1.0 1.0
   73    77    82    85  -0.30950 -1.0 2.0
   73    77    82    85   0.27300  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80  -0.11600  1.0 1.0
   77    73    79    80  -0.09450 -1.0 2.0
   77    73    79    80   0.21250  1.0 3.0
   77    82    85    86  -2.65550  1.0 1.0
   77    82    85    86  -0.22350 -1.0 2.0
   77    82    85    86   0.24150  1.0 3.0
   78    77    81    69   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    69    71    72   0.23400  1.0 3.0
   81    69   -71    73   0.62750  1.0 1.0
   81    69   -71    73  -0.30950 -1.0 2.0
   81    69   -71    73   0.27300  1.0 3.0
   81    69    71    75   3.69350  1.0 1.0
   81    69    71    75  -1.82950 -1.0 2.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.11900  1.0 1.0
   81    77    82    85  -1.16350 -1.0 2.0
   81    77    82    85  -0.34150  1.0 3.0
   82    77    81    69   0.06250  1.0 1.0
   82    77    81    69  -0.01100 -1.0 2.0
   82    77    81    69   0.28050  1.0 3.0
   82    85    86    87   0.00000  1.0 1.0
   82    85    86    88   0.00000  1.0 1.0
   82    85    86    89   0.05050  1.0 1.0
   82    85    86    89  -1.30700 -1.0 2.0
   82    85    86    89   0.91550  1.0 3.0
   83    82    85    86   0.03000  1.0 3.0
   84    82    85    86   0.03000  1.0 3.0
   85    86    89    90   0.00000  1.0 1.0
   87    86    89    90   0.00000  1.0 1.0
   88    86    89    90   0.00000  1.0 1.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   3.69350  1.0 1.0
   79    73    77    81  -1.82950 -1.0 2.0
   79    73    77    82   0.86500  1.0 1.0
   79    73    77    82  -0.17500 -1.0 2.0
   79    73    77    82   0.20800  1.0 3.0
   75    71    73    74   0.23400  1.0 3.0
   75    71    73    77   0.86500  1.0 1.0
   75    71    73    77  -0.17500 -1.0 2.0
   75    71    73    77   0.20800  1.0 3.0
   75    71    73    79   3.75450  1.0 1.0
   61    59    60    63   3.62500 -1.0 2.0
   62    61    65    66   2.45000 -1.0 2.0
   62    61    65    67   2.45000 -1.0 2.0
   47    41    45    46   0.30150 -1.0 2.0
   47    41    45    49   0.55300  1.0 1.0
   47    41    45    49   1.25850 -1.0 2.0
   47    41    45    49  -0.23600  1.0 3.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45  -0.09450  1.0 1.0
   43    39    41    45  -1.12950 -1.0 2.0
   43    39    41    45   0.54000  1.0 3.0
   43    39    41    47   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
   41    49    45    46  10.50000 -1.0 2.0
   49    53    52    54   1.00000 -1.0 2.0
   56    55    54    52  10.50000 -1.0 2.0
   57    54    56    58   1.00000 -1.0 2.0
   59    68    58    56   4.00000 -1.0 2.0
   61    60    59    58   4.00000 -1.0 2.0
   68    64    63    60   1.10000 -1.0 2.0
   63    69    68    58   4.00000 -1.0 2.0
   59    65    61    62  10.50000 -1.0 2.0
   67    61    65    66   1.00000 -1.0 2.0
END
