* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    154    224     440
    1     0 S   NP   _N1_     1    28.86344    97.00708   -23.07489
    2     1 S   H    _HN1     2     1.02827    38.54595   157.00925
    3     1 S   H    _H1_     3     1.02784   106.88297  -105.19243
    4     1 S   H    _H2_     4     1.02959    71.08702    -1.11698
    5     1 S   CT   _CA1     5     1.50153   137.42371    98.66427
    6     5 S   HC   _HA1     6     1.09576   105.17944    93.71093
    7     5 S   CO3  _C1_     7     1.53768   112.47933   -26.40165
    8     7 S   O2Z  _O11     8     1.26362   115.01145   -41.33497
    9     7 S   O2Z  _O12     9     1.26245   114.94162   137.69691
   10     5 S   CT   _CB1    10     1.53057   107.35431  -148.42125
   11    10 S   HC   HB11    11     1.09833   109.20882   -50.53482
   12    10 S   HC   HB12    12     1.09818   110.43898    65.96592
   13    10 S   CT   _CG1    13     1.53015   112.78295  -171.64271
   14    13 S   HC   HG11    14     1.09586   110.52005   -66.38358
   15    13 S   HC   HG12    15     1.09657   109.93416    52.90299
   16    13 S   C    _CD1    16     1.51778   112.18447   173.14471
   17    16 S   O    _OE1    17     1.22758   123.28403     1.41389
   18    16 S   N    _N2_    18     1.38644   111.83963  -178.33434
   19    18 S   H    _HN2    19     1.01569   119.12345     3.08889
   20    18 S   CT1  _CA2    20     1.45836   122.57695   177.32029
   21    20 S   HC   _HA2    21     1.09338   109.59856    20.04291
   22    20 S   C    _C2_    22     1.52712   105.15454   -96.63306
   23    22 S   O    _O2_    23     1.22965   122.66275   -92.05976
   24    20 S   CT   _CB2    32     1.53066   111.84311   143.14069
   25    24 S   HC   HB21    33     1.09637   110.25941    49.86348
   26    24 S   HC   HB22    34     1.09437   111.04978   167.78082
   27    22 S   N    _N3_    24     1.38521   112.85729    84.58684
   28    27 S   H    _HN3    25     1.01715   119.84512    -2.85903
   29    24 S   S    _SG2    35     1.82771   112.26951   -69.11254
   30    27 S   CT   _CA3    26     1.45321   122.40438  -178.99556
   31    30 S   HC   HA31    27     1.09578   107.79616   -52.95902
   32    30 S   HC   HA32    28     1.09555   107.80679    63.09531
   33    29 S   CT   _C21    36     1.84415   100.55518   -80.40507
   34    33 S   HC   _H3_    37     1.09076   106.46883    36.72699
   35    30 S   CO3  _C3_    29     1.52772   113.47608  -176.08403
   36    35 S   O2Z  _O31    30     1.26367   115.39254   -42.97350
   37    35 S   O2Z  _O32    31     1.26353   114.92353   137.49093
   38    33 S   CM   _C8_    38     1.53469   109.44119   155.63525
   39    33 S   CT   _C18    81     1.52927   110.58133   -78.58608
   40    39 S   HC   _H42    82     1.09536   112.50512   -54.64812
   41    39 S   HC   _H43    83     1.09504   111.29128    66.01966
   42    39 S   HC   _H44    84     1.09597   110.54602  -175.42063
   43    38 S   CMA  _C9_    39     1.36990   122.84095  -110.88456
   44    43 S   OM   _O20    40     1.26956   125.64247   178.46125
   45    38 S   CT   _C20    76     1.52395   116.12701    69.39922
   46    45 S   HC   _H47    77     1.09461   112.81985  -161.36176
   47    45 S   HC   _H48    78     1.09398   111.38316   -41.83196
   48    43 S   OS   _O23    41     1.41982   112.92068     0.21214
   49    45 S   OH   _O22    79     1.42320   109.78043    78.26432
   50    49 S   HO   _H50    80     0.97185   106.83430   176.23381
   51    48 S   CT   _C19    42     1.43522   111.34673  -115.33561
   52    51 S   HC   _H45    43     1.09711   110.22047   -61.69951
   53    51 S   HC   _H46    44     1.09493   109.39308    57.58631
   54    51 S   CM   _C5_    45     1.49195   109.43122   177.69039
   55    54 S   CM   _C4_    46     1.33709   126.55397   127.53063
   56    55 S   HC   _H26    47     1.08030   125.07297     0.62620
   57    55 S   CT   _C11    48     1.49150   111.17689  -178.01653
   58    57 S   HC   _H28    49     1.09526   109.65787   115.08372
   59    57 S   HC   _H29    50     1.09554   110.76347  -125.94902
   60    57 S   NT   _N19    51     1.47503   106.07894    -2.75875
   61    60 S   CT   _C13    52     1.46584   113.03287  -113.37736
   62    61 S   HC   _H32    53     1.09769   112.42705    32.56165
   63    61 S   HC   _H33    54     1.09401   111.38655   -89.55003
   64    61 S   CT   _C12    55     1.51841   103.19866   150.27760
   65    64 S   HC   _H30    56     1.09549   110.35596    75.09109
   66    64 S   HC   _H31    57     1.09393   111.23329  -164.06047
   67    64 S   CT   _C15    58     1.52451   102.41737   -42.47182
   68    67 S   HC   _H35    59     1.09560   111.68504   154.77368
   69    54 S   CT   _C14    60     1.49640   123.61907   -50.27208
   70    69 S   HC   _H34    61     1.09519   109.25555    66.80640
   71    67 S   OS   _O24    62     1.44086   109.12861   -82.98617
   72    71 S   CO4  _C10    63     1.35925   116.50031   -84.15193
   73    72 S   O    _O21    64     1.22154   126.94461    -0.80818
   74    72 S   CM   _C7_    65     1.48328   108.77881   179.09280
   75    74 S   CM   _C6_    66     1.34465   120.26102  -131.36677
   76    75 S   HC   _H27    67     1.08917   117.83938  -177.76279
   77    74 S   CT   _C17    72     1.49882   117.03451    50.93088
   78    77 S   HC   _H39    73     1.09468   110.68161   -70.09443
   79    77 S   HC   _H40    74     1.09510   110.40921    50.25621
   80    77 S   HC   _H41    75     1.09521   111.94396   169.83724
   81    75 S   CT   _C16    68     1.49590   128.10763     3.85031
   82    81 S   HC   _H36    69     1.09406   109.94109  -110.31614
   83    81 S   HC   _H37    70     1.09499   109.36285   131.15534
   84    81 S   HC   _H38    71     1.09255   113.51595    11.67771
  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
  13   7   2   1   1  13   5   2   1   1  10   3   5   3   2   6
   1   1  10   4   3  13   9   5  10   4   3  11  10   6   5   8
   5   4   7   4   3   1   5   9   3  10   9   5   4   2   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    45    46    47    49    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    51    45    46    47    49    50    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    51    52    53    54    45    46    47    49  
   48    51    45  
   46    47    49    50    48  
   47    49    50  
   49    50  
   51    52    53    54    55    69  
   50  
    0  
   52    53    54    55    56    57    60    67    69    70  
   53    54    55    69  
   54    55    69  
   55    56    57    58    59    60    61    64    67    68    69    70    71  
   56    57    58    59    60    61    67    69    70  
   57    58    59    60    69  
   58    59    60    61    62    63    64    67    69    70  
   59    60    61    69  
   60    61    69  
   61    62    63    64    65    66    67    68    69    70    71  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    66    67    69  
   64    65    66    67    69  
   65    66    67    68    69    70    71    72  
   66    67    68    69    71  
   67    68    69    71  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71  
   72    73    74    75    77  
   73    74    75    76    81    77    78    79    80  
   74    75    77  
   75    76    81    82    83    84    77    78    79    80  
   76    81    82    83    84    77    78    79    80  
   81    82    83    84    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   549.000  1.340
   54    69   317.000  1.510
   55    56   340.000  1.080
   55    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   382.000  1.448
   60    61   382.000  1.448
   60    69   382.000  1.448
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    77   317.000  1.510
   75    76   340.000  1.080
   75    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    49    90.00000  110.39200
   43    48    51    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    85.00000  110.90400
   51    54    55    70.00000  124.00000
   51    54    69    65.00000  117.92700
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    57    70.00000  124.00000
   54    69    60    75.00000  110.70900
   54    69    67    70.00000  112.02700
   54    69    70    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  110.70900
   57    55    56    35.00000  117.00000
   57    60    61    51.80000  107.20000
   57    60    69    51.80000  107.20000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    56.20000  109.47000
   60    69    67    56.20000  109.47000
   60    69    70    35.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    71    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    71    72    83.00000  116.90000
   69    54    55    70.00000  124.00000
   69    60    61    51.80000  107.20000
   69    67    68    37.50000  110.70000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    77    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    81    70.00000  124.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   81    75    76    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    74    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   45    38    43    70.00000  124.00000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    49   0.18000  1.0 1.0
   33    38    45    49   0.16450 -1.0 2.0
   33    38    45    49   0.04450  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  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    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    51  -2.26850  1.0 1.0
   38    43    48    51   3.39050 -1.0 2.0
   38    45    49    50  -0.07800  1.0 1.0
   38    45    49    50  -0.21500 -1.0 2.0
   38    45    49    50  -0.03150  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    49   0.67800  1.0 1.0
   43    38    45    49   0.47050 -1.0 2.0
   43    38    45    49  -0.62500  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54  -0.48150  1.0 1.0
   43    48    51    54   0.09250 -1.0 2.0
   43    48    51    54  -0.12850  1.0 3.0
   44    43    48    51   2.00000 -1.0 2.0
   48    51    54    55   0.39000  1.0 1.0
   48    51    54    55  -0.05800 -1.0 2.0
   48    51    54    55  -0.55150  1.0 3.0
   48    51    54    69   0.09700  1.0 1.0
   48    51    54    69   0.15600 -1.0 2.0
   48    51    54    69  -0.50800  1.0 3.0
   51    54    55    56   7.00000 -1.0 2.0
   51    54    55    57   7.00000 -1.0 2.0
   51    54    69    60   0.52100  1.0 1.0
   51    54    69    60  -0.20350 -1.0 2.0
   51    54    69    60   0.29750  1.0 3.0
   51    54    69    67   0.46850  1.0 1.0
   51    54    69    67   0.08550 -1.0 2.0
   51    54    69    67   0.09800  1.0 3.0
   51    54    69    70   0.34800  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    69   0.34800  1.0 3.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    69   0.34800  1.0 3.0
   54    55    57    58   0.00000  1.0 1.0
   54    55    57    59   0.00000  1.0 1.0
   54    55   -57    60   0.90200  1.0 1.0
   54    55   -57    60   0.57900 -1.0 2.0
   54    55   -57    60  -0.62100  1.0 3.0
   55    54   -69    60   0.90200  1.0 1.0
   55    54   -69    60   0.57900 -1.0 2.0
   55    54   -69    60  -0.62100  1.0 3.0
   55    54    69    67   0.09850  1.0 1.0
   55    54    69    67   0.15250 -1.0 2.0
   55    54    69    67  -0.50650  1.0 3.0
   55    54    69    70   0.00000  1.0 1.0
   55    57    60    61  -0.60800  1.0 1.0
   55    57    60    61   1.10050 -1.0 2.0
   55    57    60    61   0.47000  1.0 3.0
   55    57   -60    69  -0.60800  1.0 1.0
   55    57   -60    69   1.10050 -1.0 2.0
   55    57   -60    69   0.47000  1.0 3.0
   56    55    57    58   0.33100  1.0 3.0
   56    55    57    59   0.33100  1.0 3.0
   56    55    57    60   0.00000  1.0 1.0
   57    60    61    62   0.28000  1.0 3.0
   57    60    61    63   0.28000  1.0 3.0
   57    60    61    64   0.23450  1.0 1.0
   57    60    61    64   0.02050 -1.0 2.0
   57    60    61    64   0.25250  1.0 3.0
   57    60   -69    54  -0.60800  1.0 1.0
   57    60   -69    54   1.10050 -1.0 2.0
   57    60   -69    54   0.47000  1.0 3.0
   57    60    69    67   0.23450  1.0 1.0
   57    60    69    67   0.02050 -1.0 2.0
   57    60    69    67   0.25250  1.0 3.0
   57    60    69    70   0.28000  1.0 3.0
   58    57    60    61   0.28000  1.0 3.0
   58    57    60    69   0.28000  1.0 3.0
   59    57    60    61   0.28000  1.0 3.0
   59    57    60    69   0.28000  1.0 3.0
   60    61    64    65   0.15000  1.0 3.0
   60    61    64    66   0.15000  1.0 3.0
   60    61   -64    67   1.53400  1.0 1.0
   60    61   -64    67  -0.09950 -1.0 2.0
   60    61   -64    67   0.05700  1.0 3.0
   61    60    69    54  -0.60800  1.0 1.0
   61    60    69    54   1.10050 -1.0 2.0
   61    60    69    54   0.47000  1.0 3.0
   61    60   -69    67   0.23450  1.0 1.0
   61    60   -69    67   0.02050 -1.0 2.0
   61    60   -69    67   0.25250  1.0 3.0
   61    60    69    70   0.28000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64   -67    69   0.56750  1.0 1.0
   61    64   -67    69  -0.07550 -1.0 2.0
   61    64   -67    69   0.20000  1.0 3.0
   61    64    67    71   0.62750  1.0 1.0
   61    64    67    71  -0.30950 -1.0 2.0
   61    64    67    71   0.27300  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    69    54   0.34400  1.0 1.0
   64    67    69    54   0.09450 -1.0 2.0
   64    67    69    54   0.11100  1.0 3.0
   64    67   -69    60   1.53400  1.0 1.0
   64    67   -69    60  -0.09950 -1.0 2.0
   64    67   -69    60   0.05700  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    71    72  -0.25900  1.0 1.0
   64    67    71    72  -0.47000 -1.0 2.0
   64    67    71    72   0.11750  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.23400  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    71   0.23400  1.0 3.0
   67    71    72    73   3.00000 -1.0 2.0
   67    71    72    74   2.00000 -1.0 2.0
   68    67    69    54   0.15000  1.0 3.0
   68    67    69    60   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    71    72   0.08050  1.0 3.0
   69    54    55    56   7.00000 -1.0 2.0
   69    54   -55    57   7.00000 -1.0 2.0
   69    60    61    62   0.28000  1.0 3.0
   69    60    61    63   0.28000  1.0 3.0
   69    60   -61    64   0.23450  1.0 1.0
   69    60   -61    64   0.02050 -1.0 2.0
   69    60   -61    64   0.25250  1.0 3.0
   69    67    71    72  -0.25900  1.0 1.0
   69    67    71    72  -0.47000 -1.0 2.0
   69    67    71    72   0.11750  1.0 3.0
   71    67    69    54   0.61850  1.0 1.0
   71    67    69    54  -0.22750 -1.0 2.0
   71    67    69    54   0.15300  1.0 3.0
   71    67    69    60   1.74050  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    77  -0.15000  1.0 1.0
   71    72    74    77   0.89550 -1.0 2.0
   71    72    74    77  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    81   7.00000 -1.0 2.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    80   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    77  -0.64400  1.0 1.0
   73    72    74    77   0.26850 -1.0 2.0
   74    75    81    82   0.00000  1.0 1.0
   74    75    81    83   0.00000  1.0 1.0
   74    75    81    84   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    80   0.00000  1.0 1.0
   76    75    81    82   0.33100  1.0 3.0
   76    75    81    83   0.33100  1.0 3.0
   76    75    81    84   0.33100  1.0 3.0
   77    74    75    76   7.00000 -1.0 2.0
   77    74    75    81   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    48    43    38  15.00000 -1.0 2.0
   51    69    54    55   1.10000 -1.0 2.0
   57    56    55    54   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    77    74    75  15.00000 -1.0 2.0
   81    76    75    74  15.00000 -1.0 2.0
END
