* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    156    234     461
    1     0 S   NP   _N1_     1    28.33939    98.22549   -23.10196
    2     1 S   H    _HN1     2     1.02775    98.38041   -82.20604
    3     1 S   H    _H1_     3     1.02955    64.44556    24.21330
    4     1 S   H    _H2_     4     1.02832    49.25622   171.30647
    5     1 S   CT   _CA1     5     1.50101   148.37965   111.85827
    6     5 S   HC   _HA1     6     1.09590   105.16384   103.13955
    7     5 S   CO3  _C1_     7     1.53795   112.66294   -16.76478
    8     7 S   O2Z  _O11     8     1.26342   114.98042   -39.70723
    9     7 S   O2Z  _O12     9     1.26319   114.92076   139.58293
   10     5 S   CT   _CB1    10     1.53149   107.43514  -139.12710
   11    10 S   HC   HB11    11     1.09811   109.13856   -52.95182
   12    10 S   HC   HB12    12     1.09807   110.51681    63.62928
   13    10 S   CT   _CG1    13     1.52893   112.51501  -174.17846
   14    13 S   HC   HG11    14     1.09550   110.11805   -69.25236
   15    13 S   HC   HG12    15     1.09659   109.83908    50.01775
   16    13 S   C    _CD1    16     1.51656   112.94541   170.50251
   17    16 S   O    _OE1    17     1.22718   123.34348     2.67247
   18    16 S   N    _N2_    18     1.38641   111.48426  -177.32672
   19    18 S   H    _HN2    19     1.01600   118.81302     4.45056
   20    18 S   CT1  _CA2    20     1.45704   122.84307   175.82862
   21    20 S   HC   _HA2    21     1.09715   109.03602    21.90625
   22    20 S   C    _C2_    22     1.52910   106.62837   -95.09871
   23    22 S   O    _O2_    23     1.22991   122.95018   -29.45496
   24    20 S   CT   _CB2    32     1.53087   112.50525   145.31277
   25    24 S   HC   HB21    33     1.09577   110.67213    53.24846
   26    24 S   HC   HB22    34     1.09549   109.73353   172.26792
   27    22 S   N    _N3_    24     1.38476   112.65401   153.36971
   28    27 S   H    _HN3    25     1.01657   120.41899    -2.01713
   29    24 S   S    _SG2    35     1.82546   111.38856   -67.88882
   30    27 S   CT   _CA3    26     1.45363   122.42290   178.67087
   31    30 S   HC   HA31    27     1.09568   107.72203   -57.78698
   32    30 S   HC   HA32    28     1.09567   107.67930    58.52569
   33    29 S   CT   _C13    36     1.84632    99.11852  -173.98780
   34    33 S   HC   _H9_    37     1.09662   107.76492    12.26260
   35    30 S   CO3  _C3_    29     1.52886   114.37252  -179.63043
   36    35 S   O2Z  _O31    30     1.26330   116.07277     0.23903
   37    35 S   O2Z  _O32    31     1.26444   114.40344  -179.78060
   38    33 S   CT   _C14    38     1.53773   109.45330   130.59339
   39    38 S   HC   _H10    39     1.09790   110.16073    52.81404
   40    38 S   CT   _C15    40     1.53473   110.58993   172.97982
   41    40 S   HC   _H11    41     1.09581   110.24808  -176.79313
   42    38 S   OH   _O46    84     1.42783   110.06038   -65.66275
   43    42 S   HO   _H22    85     0.97216   107.66303  -173.63407
   44    40 S   CT   _C16    42     1.52865   109.39054   -53.72330
   45    44 S   HC   _H12    43     1.09892   109.52949   -60.08354
   46    40 S   OH   _O45    82     1.43211   108.25031    66.37801
   47    46 S   HO   _H21    83     0.97534   106.69038  -177.59849
   48    44 S   OS   _O42    44     1.43341   109.28967    58.92979
   49    44 S   CO3  _C17    79     1.53971   115.68222   179.79633
   50    49 S   O2Z  _O44    80     1.26346   116.16827    -7.98097
   51    49 S   O2Z  _O43    81     1.26476   114.73981   171.40221
   52    33 S   CO   _C12    45     1.54030   110.26479  -107.46214
   53    52 S   HC   _H8_    46     1.09874   110.65122   -54.56232
   54    52 S   OS   _O41    47     1.43341   108.41037    65.71268
   55    54 S   CT   _C7_    48     1.43687   112.86953  -166.48932
   56    55 S   HC   _H4_    49     1.09770   110.58559   -25.14676
   57    55 S   CT   _C6_    50     1.54017   108.26413  -143.45547
   58    57 S   HC   _H3_    51     1.09816   108.43691   173.42950
   59    57 S   CO   _C10    52     1.53471   110.75868   -67.60560
   60    59 S   HC   _H7_    53     1.09728   111.60594    66.00589
   61    57 S   N    _N4_    71     1.46338   109.93952    56.10776
   62    61 S   H    _H16    72     1.01516   117.67102   -82.22771
   63    59 S   OS   _O34    54     1.42659   109.87322   -56.27910
   64    59 S   OH   _O35    69     1.42612   108.56042  -175.34104
   65    64 S   HO   _H17    70     0.97180   106.53910  -162.28990
   66    61 S   C    _C5_    73     1.38316   122.79080    89.29224
   67    66 S   O    _O33    74     1.22770   125.54932     4.09840
   68    63 S   CT   _C9_    55     1.43468   113.04299    62.55796
   69    68 S   HC   _H6_    56     1.09709   107.63480    58.80006
   70    66 S   CT   _C4_    75     1.50452   112.43786  -174.80944
   71    70 S   HC   _H13    76     1.09355   109.31367    76.07131
   72    70 S   HC   _H14    77     1.09347   109.63355  -164.12907
   73    70 S   HC   _H15    78     1.09377   110.51953   -44.46122
   74    55 S   CT   _C8_    57     1.53462   108.50926    96.47480
   75    74 S   HC   _H5_    58     1.09716   110.13706   -50.77118
   76    68 S   CT   _C11    64     1.52909   107.56419   175.87218
   77    76 S   HC   _H18    65     1.09435   110.85836   173.00742
   78    76 S   HC   _H19    66     1.09457   111.59335    50.42518
   79    74 S   OS   _O37    59     1.42976   108.51077  -171.47051
   80    76 S   OH   _O36    67     1.42539   109.10439   -68.29070
   81    80 S   HO   _H20    68     0.97640   106.57741  -175.25732
   82    79 S   SY   _S1_    60     1.63964   119.84674   105.77307
   83    82 S   OY   _O40    61     1.46146   104.51061   -53.79191
   84    82 S   OY   _O38    62     1.46129   103.49223  -173.71572
   85    82 S   OY   _O39    63     1.46160   104.06191    66.57262
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  14   7  12   7   4   1  10   6   3   1   7
   3   1   1   6   2  10  17   8  15   8  11   5  10   3  11   2
   1   5   4  10   7   3   2   1   1  10   3   5   3   2   4   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    52    53    54    55    46    42    43  
   38    39    40    48    52    53    54    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    54    49    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    52    49    50    51    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    52  
    0  
   45    48    52    53    54    49    50    51    46    47  
   48    52    49    50    51    46  
   47    48    49  
    0  
   52    53    54    55    49    50    51  
   50    51    52  
   51  
    0  
   53    54    55    56    57    74  
   54    55  
   55    56    57    58    59    68    74    75    79    61  
   56    57    58    59    60    63    68    69    74    75    79    82    76    64    61    62    66  
   57    58    59    68    74    75    79    61  
   58    59    60    63    68    74    75    79    64    65    61    62    66    67    70  
   59    60    63    74    64    61    62    66  
   60    63    68    69    74    76    64    65    61    62    66  
   63    68    64    65    61  
   62    66    67    70    71    72    73    63    64    74  
   66    67    70  
   68    69    74    75    79    76    77    78    80    64    65  
   65    68  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    79    82    76    77    78    80    81  
   74    75    79    76    77    78    80  
   71    72    73  
   72    73  
   73  
    0  
   75    79    82    83    84    85    76    77    78    80  
   79    82    76  
   77    78    80    81    79  
   78    80    81  
   80    81  
   82    83    84    85  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   83   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   84   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   85   2.9600   0.1700  -0.766433   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   268.000  1.529
   33    52   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   320.000  1.410
   44    49   317.000  1.522
   48    52   320.000  1.380
   52    53   340.000  1.090
   52    54   320.000  1.380
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    74   268.000  1.529
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    61   337.000  1.449
   59    60   340.000  1.090
   59    63   320.000  1.380
   59    64   380.000  1.407
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   268.000  1.529
   74    75   340.000  1.090
   74    79   320.000  1.410
   79    82   335.000  1.682
   82    83   735.000  1.471
   82    84   735.000  1.471
   82    85   735.000  1.471
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    80   320.000  1.410
   80    81   553.000  0.945
   64    65   553.000  0.945
   61    62   434.000  1.010
   61    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   49    50   656.000  1.250
   49    51   656.000  1.250
   46    47   553.000  0.945
   42    43   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    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  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    48    90.00000  108.56700
   33    52    53    45.00000  112.01100
   33    52    54    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    50.00000  109.50000
   40    44    49    70.00000  109.69300
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    52    60.00000  109.50000
   44    49    50    70.00000  117.00000
   44    49    51    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    52    53    35.00000  109.50000
   48    52    54    92.60000  111.55000
   52    33    34    45.00000  108.72000
   52    33    38    75.00000  109.43000
   52    54    55    60.00000  109.50000
   54    52    53    35.00000  109.50000
   54    55    56    35.00000  109.50000
   54    55    57    50.00000  109.50000
   54    55    74    50.00000  109.50000
   55    57    58    37.50000  110.70000
   55    57    59    75.00000  109.43000
   55    57    61    70.00000  110.72300
   55    74    68    58.35000  112.70000
   55    74    75    37.50000  110.70000
   55    74    79    50.00000  109.50000
   57    55    56    37.50000  110.70000
   57    59    60    45.00000  112.01100
   57    59    63    90.00000  108.56700
   57    59    64    90.00000  110.19100
   57    61    62    38.00000  118.40000
   57    61    66    50.00000  121.90000
   59    57    58    45.00000  108.72000
   59    63    68    60.00000  109.50000
   59    64    65    70.00000  107.92000
   63    59    60    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    74    50.00000  109.50000
   63    68    76    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    79    50.00000  109.50000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    80    50.00000  109.50000
   74    55    56    37.50000  110.70000
   74    55    57    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    82   100.00000  113.05000
   79    74    75    35.00000  109.50000
   79    82    83   135.00000  106.70400
   79    82    84   135.00000  106.70400
   79    82    85   135.00000  106.70400
   84    82    83   115.00000  120.17200
   85    82    83   115.00000  120.17200
   85    82    84   115.00000  120.17200
   76    68    69    37.50000  110.70000
   76    68    74    58.35000  112.70000
   76    80    81    55.00000  108.50000
   78    76    77    33.00000  107.80000
   80    76    77    35.00000  109.50000
   80    76    78    35.00000  109.50000
   64    59    60    60.00000  108.02500
   64    59    63   110.00000  112.08000
   61    57    58    35.00000  109.50000
   61    57    59    70.00000  110.72300
   61    66    67    80.00000  122.90000
   61    66    70    70.00000  116.60000
   66    61    62    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    48    85.00000  109.63000
   51    49    50    80.00000  126.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    54    55   0.06250  1.0 1.0
   33    52    54    55  -0.01100 -1.0 2.0
   33    52    54    55   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    48   0.23400  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    54   0.23400  1.0 3.0
   38    33    52    48   0.62750  1.0 1.0
   38    33    52    48  -0.30950 -1.0 2.0
   38    33    52    48   0.27300  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    54   0.62750  1.0 1.0
   38    33    52    54  -0.30950 -1.0 2.0
   38    33    52    54   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49  -1.63150  1.0 1.0
   38    40    44    49  -0.43550 -1.0 2.0
   38    40    44    49   0.24500  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    52   0.06250  1.0 1.0
   40    44    48    52  -0.01100 -1.0 2.0
   40    44    48    52   0.28050  1.0 3.0
   40    44    49    50   0.41150 -1.0 2.0
   40    44    49    51   0.41150 -1.0 2.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49  -0.11250  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.06250  1.0 1.0
   44    48   -52    33  -0.01100 -1.0 2.0
   44    48   -52    33   0.28050  1.0 3.0
   44    48    52    53   0.37050  1.0 3.0
   44    48    52    54  -0.81800  1.0 1.0
   45    44    48    52   0.37050  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   48    44    49    50   0.30150 -1.0 2.0
   48    44    49    51   0.30150 -1.0 2.0
   48    52    54    55  -0.53350  1.0 1.0
   48    52    54    55  -0.78350 -1.0 2.0
   48    52    54    55   0.33750  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   3.97050  1.0 1.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    54    55    56   0.37050  1.0 3.0
   52    54    55    57   0.06250  1.0 1.0
   52    54    55    57  -0.01100 -1.0 2.0
   52    54    55    57   0.28050  1.0 3.0
   52    54    55    74   0.06250  1.0 1.0
   52    54    55    74  -0.01100 -1.0 2.0
   52    54    55    74   0.28050  1.0 3.0
   53    52    54    55   0.37050  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.62750  1.0 1.0
   54    55    57    59  -0.30950 -1.0 2.0
   54    55    57    59   0.27300  1.0 3.0
   54    55    57    61   1.12100  1.0 1.0
   54    55    57    61  -0.16500 -1.0 2.0
   54    55    74    68   0.62750  1.0 1.0
   54    55    74    68  -0.30950 -1.0 2.0
   54    55    74    68   0.27300  1.0 3.0
   54    55    74    75   0.23400  1.0 3.0
   54    55    74    79   1.11900  1.0 1.0
   54    55    74    79  -1.16350 -1.0 2.0
   54    55    74    79  -0.34150  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    63   0.62750  1.0 1.0
   55    57    59    63  -0.30950 -1.0 2.0
   55    57    59    63   0.27300  1.0 3.0
   55    57    59    64   0.86500  1.0 1.0
   55    57    59    64  -0.17500 -1.0 2.0
   55    57    59    64   0.20800  1.0 3.0
   55    57    61    62   0.00000  1.0 1.0
   55    57    61    66  -0.43950  1.0 1.0
   55    57    61    66  -0.08100 -1.0 2.0
   55    57    61    66   0.03350  1.0 3.0
   55    74    79    82   0.37500  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    74    68   0.15000  1.0 3.0
   56    55    74    75   0.15000  1.0 3.0
   56    55    74    79   0.23400  1.0 3.0
   57    55    74    68   0.56750  1.0 1.0
   57    55    74    68  -0.07550 -1.0 2.0
   57    55    74    68   0.20000  1.0 3.0
   57    55    74    75   0.15000  1.0 3.0
   57    55    74    79   0.62750  1.0 1.0
   57    55    74    79  -0.30950 -1.0 2.0
   57    55    74    79   0.27300  1.0 3.0
   57    59   -63    68   0.06250  1.0 1.0
   57    59   -63    68  -0.01100 -1.0 2.0
   57    59   -63    68   0.28050  1.0 3.0
   57    59    64    65  -0.11600  1.0 1.0
   57    59    64    65  -0.09450 -1.0 2.0
   57    59    64    65   0.21250  1.0 3.0
   57    61    66    67   3.04450 -1.0 2.0
   57    61    66    70   1.49850  1.0 1.0
   57    61    66    70   1.53950 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    59    64   0.23400  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    66   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    66  -0.43950  1.0 1.0
   59    57    61    66  -0.08100 -1.0 2.0
   59    57    61    66   0.03350  1.0 3.0
   59    63    68    69   0.37050  1.0 3.0
   59    63    68    74   0.06250  1.0 1.0
   59    63    68    74  -0.01100 -1.0 2.0
   59    63    68    74   0.28050  1.0 3.0
   59    63    68    76   0.06250  1.0 1.0
   59    63    68    76  -0.01100 -1.0 2.0
   59    63    68    76   0.28050  1.0 3.0
   60    59    63    68   0.37050  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   63    59    64    65  -0.50000  1.0 1.0
   63    59    64    65  -0.73950 -1.0 2.0
   63    59    64    65   0.17150  1.0 3.0
   63    68   -74    55   0.62750  1.0 1.0
   63    68   -74    55  -0.30950 -1.0 2.0
   63    68   -74    55   0.27300  1.0 3.0
   63    68    74    75   0.23400  1.0 3.0
   63    68    74    79   1.11900  1.0 1.0
   63    68    74    79  -1.16350 -1.0 2.0
   63    68    74    79  -0.34150  1.0 3.0
   63    68    76    77   0.23400  1.0 3.0
   63    68    76    78   0.23400  1.0 3.0
   63    68    76    80   3.69350  1.0 1.0
   63    68    76    80  -1.82950 -1.0 2.0
   68    74    79    82   0.37500  1.0 3.0
   68    76    80    81  -0.11600  1.0 1.0
   68    76    80    81  -0.09450 -1.0 2.0
   68    76    80    81   0.21250  1.0 3.0
   69    68    74    55   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    79   0.23400  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    80   0.23400  1.0 3.0
   74    55    57    58   0.15000  1.0 3.0
   74    55   -57    59   3.97050  1.0 1.0
   74    55    57    61  -0.27100  1.0 1.0
   74    55    57    61  -0.01700 -1.0 2.0
   74    55    57    61  -0.48600  1.0 3.0
   74    68    76    77   0.15000  1.0 3.0
   74    68    76    78   0.15000  1.0 3.0
   74    68    76    80   0.86500  1.0 1.0
   74    68    76    80  -0.17500 -1.0 2.0
   74    68    76    80   0.20800  1.0 3.0
   74    79    82    83   0.29800  1.0 3.0
   74    79    82    84   0.29800  1.0 3.0
   74    79    82    85   0.29800  1.0 3.0
   75    74    79    82   0.00000  1.0 1.0
   76    68    74    55   0.56750  1.0 1.0
   76    68    74    55  -0.07550 -1.0 2.0
   76    68    74    55   0.20000  1.0 3.0
   76    68    74    75   0.15000  1.0 3.0
   76    68    74    79   0.62750  1.0 1.0
   76    68    74    79  -0.30950 -1.0 2.0
   76    68    74    79   0.27300  1.0 3.0
   77    76    80    81   0.19450  1.0 3.0
   78    76    80    81   0.19450  1.0 3.0
   64    59    63    68  -0.81800  1.0 1.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    63   1.12100  1.0 1.0
   61    57    59    63  -0.16500 -1.0 2.0
   61    57    59    64   2.76900  1.0 1.0
   61    57    59    64  -0.24350 -1.0 2.0
   61    57    59    64  -0.78250  1.0 3.0
   61    66    70    71   0.00000  1.0 1.0
   61    66    70    72   0.00000  1.0 1.0
   61    66    70    73   0.00000  1.0 1.0
   62    61    66    67   2.45000 -1.0 2.0
   62    61    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   49    44    48    52  -1.11000  1.0 1.0
   49    44    48    52   0.50250 -1.0 2.0
   49    44    48    52   0.47450  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49  -5.33000  1.0 1.0
   46    40    44    49  -0.54250 -1.0 2.0
   46    40    44    49  -0.07300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   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
   36    30    35    37  10.50000 -1.0 2.0
   62    66    61    57   1.00000 -1.0 2.0
   61    70    66    67  10.50000 -1.0 2.0
   50    44    49    51  10.50000 -1.0 2.0
END
