* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    190    304     573
    1     0 S   NP   _N1_     1    28.36340    99.63358   -23.35343
    2     1 S   H    _HN1     2     1.02777   105.85074   -96.30415
    3     1 S   H    _H1_     3     1.02957    58.40963     5.78035
    4     1 S   H    _H2_     4     1.02835    51.75823   163.16163
    5     1 S   CT   _CA1     5     1.50151   141.75254    88.91725
    6     5 S   HC   _HA1     6     1.09576   105.18741   113.12978
    7     5 S   CO3  _C1_     7     1.53762   112.32197    -7.01638
    8     7 S   O2Z  _O11     8     1.26368   114.98537   -44.21529
    9     7 S   O2Z  _O12     9     1.26227   114.92275   134.72323
   10     5 S   CT   _CB1    10     1.53080   107.40475  -128.99482
   11    10 S   HC   HB11    11     1.09832   109.26783   -50.32258
   12    10 S   HC   HB12    12     1.09814   110.45705    66.20539
   13    10 S   CT   _CG1    13     1.53048   112.72762  -171.37017
   14    13 S   HC   HG11    14     1.09588   110.55544   -65.84662
   15    13 S   HC   HG12    15     1.09661   109.86846    53.38488
   16    13 S   C    _CD1    16     1.51858   112.18611   173.71877
   17    16 S   O    _OE1    17     1.22774   123.24329     3.85061
   18    16 S   N    _N2_    18     1.38568   111.84747  -176.13659
   19    18 S   H    _HN2    19     1.01574   119.12030     3.45785
   20    18 S   CT1  _CA2    20     1.45805   122.71071   177.18784
   21    20 S   HC   _HA2    21     1.09736   108.83993    26.57896
   22    20 S   C    _C2_    22     1.52963   107.09760   -90.42418
   23    22 S   O    _O2_    23     1.22969   123.10727   -26.44637
   24    20 S   CT   _CB2    32     1.53112   112.35235   149.79811
   25    24 S   HC   HB21    33     1.09535   110.25992    54.25511
   26    24 S   HC   HB22    34     1.09536   110.17916   173.22668
   27    22 S   N    _N3_    24     1.38507   112.50500   156.28572
   28    27 S   H    _HN3    25     1.01651   120.34328    -2.33448
   29    24 S   S    _SG2    35     1.82442   111.31422   -66.88088
   30    27 S   CT   _CA3    26     1.45354   122.53217   178.55870
   31    30 S   HC   HA31    27     1.09565   107.87649   -54.54375
   32    30 S   HC   HA32    28     1.09560   107.56450    61.81498
   33    29 S   CT   _C9_    36     1.86490    99.18756  -179.86583
   34    33 S   HC   _H3_    37     1.09581   107.63416    12.99517
   35    30 S   CO3  _C3_    29     1.52897   114.27401  -176.46664
   36    35 S   O2Z  _O31    30     1.26343   116.04265     0.55953
   37    35 S   O2Z  _O32    31     1.26431   114.42004  -179.49876
   38    33 S   CM   _C5_    38     1.51598   106.93125  -104.40384
   39    38 S   CMA  _C4_    39     1.36209   126.38260  -115.36998
   40    39 S   OM   _O23    40     1.26082   126.24680   169.98119
   41    38 S   OS   _O29    93     1.39865   113.87376    59.04580
   42    39 S   CT   _C16    41     1.60567   120.20966    -9.82089
   43    41 S   CT   _C24    94     1.42641   110.54870    88.83279
   44    43 S   HC   _H55    95     1.09395   107.83959   177.22124
   45    43 S   HC   _H56    96     1.09527   111.38040    58.76051
   46    43 S   HC   _H57    97     1.09462   111.18171   -64.56805
   47    42 S   CT   _C10    42     1.59462   103.69429    34.61625
   48    47 S   HC   _H37    43     1.10128   106.43835    53.61424
   49    42 S   CT   _C21    89     1.55604   105.83088   -82.95441
   50    49 S   HC   _H46    90     1.09063   112.27580   157.43287
   51    49 S   HC   _H47    91     1.09649   112.40904    37.41204
   52    49 S   HC   _H48    92     1.09306   112.39370   -80.80365
   53    47 S   CT   _C8_    44     1.53075   115.16330   169.03815
   54    53 S   HC   _H34    45     1.09313   110.92195    70.16625
   55    53 S   HC   _H35    46     1.09712   108.97178  -173.45683
   56    33 S   CT   _C12    83     1.54702   111.94839   130.36275
   57    56 S   HC   _H39    84     1.09660   106.69605  -156.77278
   58    53 S   CT   _C13    47     1.52590   111.66188   -56.16263
   59    58 S   HC   _H40    48     1.09806   107.28234  -176.88605
   60    56 S   CT   _C20    85     1.53760   113.32053   -43.68480
   61    60 S   HC   _H43    86     1.09436   112.43031    76.33581
   62    60 S   HC   _H44    87     1.09571   110.81006   -45.35390
   63    60 S   HC   _H45    88     1.09557   110.64895  -163.33966
   64    58 S   CT   _C17    49     1.53596   112.09912    61.45813
   65    58 S   OS   _O25    63     1.44307   106.67750   -63.95159
   66    42 S   CT   _C11    50     1.63165   116.84611   155.71474
   67    66 S   HC   _H38    51     1.09824   101.89092   -40.54075
   68    64 S   CT   _C22    79     1.56337   105.62753    68.15795
   69    68 S   HC   _H49    80     1.09645   111.05702    59.29875
   70    68 S   HC   _H50    81     1.08859   113.15665   -59.45025
   71    68 S   HC   _H51    82     1.08862   114.47575   180.00000
   72    66 S   CT   _C14    52     1.58255   118.96874    75.07077
   73    72 S   HC   _H41    53     1.09153   110.92549    75.74763
   74    72 S   CT   _C15    54     1.54759   110.70258  -162.94310
   75    74 S   HC   _H42    55     1.09859   108.24059    63.22360
   76    72 S   OH   _O26    77     1.42067   115.12146   -41.06069
   77    76 S   HO   _H61    78     0.97382   107.82980   -34.39528
   78    74 S   CT   _C19    56     1.55093   112.96051   -58.05671
   79    74 S   OS   _O30    72     1.44111   108.91860  -178.28891
   80    64 S   CT   _C18    57     1.58090   106.95357  -174.26848
   81    78 S   CT   _C23    66     1.54151   109.76475   176.38952
   82    81 S   HC   _H52    67     1.09491   111.51951  -179.93147
   83    81 S   HC   _H53    68     1.09641   110.98797    62.80135
   84    81 S   HC   _H54    69     1.09414   112.12984   -57.87216
   85    78 S   OH   _O28    70     1.43771   108.07873   -70.17901
   86    85 S   HO   _H63    71     0.97326   107.34290   171.00492
   87    79 S   CT   _C25    73     1.42141   113.20846  -108.05625
   88    87 S   HC   _H58    74     1.09322   108.26429   178.53406
   89    87 S   HC   _H59    75     1.09345   111.07846    59.40474
   90    87 S   HC   _H60    76     1.09425   110.28752   -62.91238
   91    80 S   CT   _C7_    58     1.53963   110.90847    52.87803
   92    91 S   HC   _H32    59     1.09769   109.49893  -162.63815
   93    91 S   HC   _H33    60     1.09451   111.73705    78.51898
   94    80 S   OH   _O27    64     1.44335   107.96556   -63.24118
   95    94 S   HO   _H62    65     0.97171   109.10229   170.18945
   96    91 S   CO4  _C6_    61     1.50257   116.02502   -43.43495
   97    96 S   O    _O24    62     1.22891   121.18278  -155.76353
  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   9   5   4   3
  16   7   2   1   1  14  16   5   6  22   3   2   1   1  21   9
   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1  21
   8  16   6   8   3   2   1  11   6  18   7   3   1  15   7  13
   7   3   2   1   3   1   3   2   1   1   6   4   3   2   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    56    57    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    48    53    56    57    60    61    62    63    41    43  
   38    39    47    56    57    60    41  
   36    37  
   37  
    0  
   39    40    42    47    66    56    57    60    49    41    43    44    45    46  
   40    42    47    48    53    64    66    67    72    56    49    50    51    52    41    43  
   42    47    66    49    41  
   43    44    45    46    42    56  
   47    48    53    54    55    58    64    66    67    72    73    74    80    76    68    56    57    60    49    50    51    52  
   44    45    46  
   45    46  
   46  
    0  
   48    53    54    55    58    59    64    66    67    72    65    56    57    60    61    62    63    49    50    51    52  
   53    54    55    58    66    56    57    60    49  
   50    51    52    53    56    64    66    67    72  
   51    52    66  
   52    66  
   66  
   54    55    58    59    64    66    80    96    65    68    56    57    60  
   55    58    59    64    65    56  
   58    59    64    65    56  
   57    60    61    62    63    58    66  
   60    61    62    63  
   59    64    66    67    72    78    80    91    96    97    65    94    68    69    70    71  
   64    66    80    96    65    68  
   61    62    63  
   62    63  
   63  
    0  
   66    67    72    73    74    78    80    91    92    93    96    65    94    95    81    85    76    68    69    70    71  
   68    66    80    91    92    93    96    97  
   67    72    73    74    75    78    80    91    94    79    76    77    68    69    70    71  
   72    73    74    80    76    68  
   69    70    71    72    78    80    91    94  
   70    71    80  
   71    80  
   80  
   73    74    75    78    80    81    85    79    87    76    77  
   74    75    78    79    76    77  
   75    78    80    91    94    81    82    83    84    85    86    79    87    88    89    90    76    77  
   78    80    81    85    79    87    76  
   77    78    79  
    0  
   80    91    92    93    96    94    95    81    82    83    84    85    86    79    87  
   87    88    89    90    80    81    85  
   91    92    93    96    97    94    95    81    82    83    84    85    86  
   82    83    84    85    86    91    94  
   83    84    85  
   84    85  
   85  
   86    91    94  
    0  
   88    89    90  
   89    90  
   90  
    0  
   92    93    96    97    94    95  
   93    96    97    94  
   96    97    94  
   95    96  
    0  
   97  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    56   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    47   268.000  1.529
   42    66   268.000  1.529
   42    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    65   320.000  1.410
   64    66   268.000  1.529
   64    80   268.000  1.529
   64    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    76   320.000  1.410
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    79   320.000  1.410
   78    80   268.000  1.529
   78    81   268.000  1.529
   78    85   320.000  1.410
   80    91   268.000  1.529
   80    94   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    96   317.000  1.522
   96    97   570.000  1.229
   96    65   214.000  1.327
   94    95   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   553.000  0.945
   79    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   76    77   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   41    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    43    90.00000  111.18400
   39    42    47    70.00000  112.02700
   39    42    66    70.00000  112.02700
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    47    48    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    47    56    58.35000  112.70000
   42    66    64    58.35000  112.70000
   42    66    67    37.50000  110.70000
   42    66    72    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    58    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    60    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    65    50.00000  109.50000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    66    58.35000  112.70000
   58    64    80    58.35000  112.70000
   58    64    68    58.35000  112.70000
   58    65    96    83.00000  116.90000
   64    58    59    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    72    58.35000  112.70000
   64    80    78    58.35000  112.70000
   64    80    91    58.35000  112.70000
   64    80    94    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   66    42    47    58.35000  112.70000
   66    72    73    37.50000  110.70000
   66    72    74    58.35000  112.70000
   66    72    76    50.00000  109.50000
   72    66    67    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    78    58.35000  112.70000
   72    74    79    50.00000  109.50000
   72    76    77    55.00000  108.50000
   74    72    73    37.50000  110.70000
   74    78    80    58.35000  112.70000
   74    78    81    58.35000  112.70000
   74    78    85    50.00000  109.50000
   74    79    87    60.00000  109.50000
   78    74    75    37.50000  110.70000
   78    80    91    58.35000  112.70000
   78    80    94    50.00000  109.50000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   78    85    86    55.00000  108.50000
   80    64    66    58.35000  112.70000
   80    91    92    37.50000  110.70000
   80    91    93    37.50000  110.70000
   80    91    96    63.00000  111.10000
   80    94    95    55.00000  108.50000
   91    96    97    80.00000  120.40000
   91    96    65    81.00000  111.40000
   93    91    92    33.00000  107.80000
   96    91    92    35.00000  109.50000
   96    91    93    35.00000  109.50000
   65    58    59    35.00000  109.50000
   65    58    64    50.00000  109.50000
   65    96    97    83.00000  123.40000
   94    80    91    50.00000  109.50000
   81    78    80    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    78    80    50.00000  109.50000
   85    78    81    50.00000  109.50000
   79    74    75    35.00000  109.50000
   79    74    78    50.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    50.00000  109.50000
   68    64    66    58.35000  112.70000
   68    64    80    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    47    48    37.50000  110.70000
   56    47    53    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   49    42    47    58.35000  112.70000
   49    42    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60   0.44750  1.0 1.0
   29    33    56    60  -0.17800 -1.0 2.0
   29    33    56    60   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
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   57    56    60    63   0.15000  1.0 3.0
   49    42    47    48   0.15000  1.0 3.0
   49    42    47    53   0.56750  1.0 1.0
   49    42    47    53  -0.07550 -1.0 2.0
   49    42    47    53   0.20000  1.0 3.0
   49    42    47    56   0.56750  1.0 1.0
   49    42    47    56  -0.07550 -1.0 2.0
   49    42    47    56   0.20000  1.0 3.0
   49    42    66    64   0.56750  1.0 1.0
   49    42    66    64  -0.07550 -1.0 2.0
   49    42    66    64   0.20000  1.0 3.0
   49    42    66    67   0.15000  1.0 3.0
   49    42    66    72   0.56750  1.0 1.0
   49    42    66    72  -0.07550 -1.0 2.0
   49    42    66    72   0.20000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   91    65    96    97  10.50000 -1.0 2.0
END
