* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    156    234     461
    1     0 S   NP   _N1_     1    29.17104    97.46961   -17.51297
    2     1 S   H    _HN1     2     1.02951    74.62797    -3.21199
    3     1 S   H    _H1_     3     1.02853    61.88842   116.42358
    4     1 S   H    _H2_     4     1.02793    70.19839  -119.52630
    5     1 S   CT   _CA1     5     1.50074   172.41041   131.44445
    6     5 S   HC   _HA1     6     1.09570   105.36299    45.74703
    7     5 S   CO3  _C1_     7     1.53937   111.87383   -74.63799
    8     7 S   O2Z  _O11     8     1.26414   115.17571   -56.94765
    9     7 S   O2Z  _O12     9     1.26209   114.84940   122.17737
   10     5 S   CT   _CB1    10     1.53065   107.44347   163.64394
   11    10 S   HC   HB11    11     1.09826   109.80058   -48.92524
   12    10 S   HC   HB12    12     1.09829   110.22591    67.57843
   13    10 S   CT   _CG1    13     1.53114   112.58239  -169.90841
   14    13 S   HC   HG11    14     1.09462   110.71971   -50.33652
   15    13 S   HC   HG12    15     1.09604   110.15333    68.55576
   16    13 S   C    _CD1    16     1.51780   111.41261  -171.55720
   17    16 S   O    _OE1    17     1.22821   122.76263   -20.77808
   18    16 S   N    _N2_    18     1.38508   112.31267   159.97374
   19    18 S   H    _HN2    19     1.01564   119.32831     6.22983
   20    18 S   CT1  _CA2    20     1.45755   122.57468   178.48393
   21    20 S   HC   _HA2    21     1.09735   108.86515    18.56403
   22    20 S   C    _C2_    22     1.52905   106.76923   -98.11799
   23    22 S   O    _O2_    23     1.22991   122.90459   -28.33318
   24    20 S   CT   _CB2    32     1.53082   112.75499   141.26523
   25    24 S   HC   HB21    33     1.09483   111.14338    58.59314
   26    24 S   HC   HB22    34     1.09426   109.25720   176.36417
   27    22 S   N    _N3_    24     1.38486   112.62474   153.59222
   28    27 S   H    _HN3    25     1.01624   120.32025     0.83977
   29    24 S   S    _SG2    35     1.82996   111.72302   -65.91824
   30    27 S   CT   _CA3    26     1.45368   122.55035   178.65041
   31    30 S   HC   HA31    27     1.09547   107.36718   -69.23266
   32    30 S   HC   HA32    28     1.09573   108.13875    47.14507
   33    29 S   CT   _C12    36     1.85110   100.53361   107.01694
   34    33 S   HC   _H3_    37     1.09614   106.26202   -31.35400
   35    30 S   CO3  _C3_    29     1.52917   114.34153   169.48249
   36    35 S   O2Z  _O31    30     1.26349   116.14481     5.54114
   37    35 S   O2Z  _O32    31     1.26482   114.43226  -174.27111
   38    33 S   CT   _C9_    38     1.55079   113.49388    88.12628
   39    38 S   HC   _H35    39     1.10022   105.37736  -169.26479
   40    38 S   CT   _C7_    40     1.54587   112.90083    74.34840
   41    40 S   HC   _H33    41     1.09604   109.67940   168.25988
   42    38 S   OS   _O28    62     1.42840   111.07552   -52.04995
   43    40 S   CO   _C14    42     1.53720   109.80811    49.09277
   44    43 S   HC   _H40    43     1.09755   109.51663    66.64591
   45    40 S   N    _N15    54     1.46465   111.24731   -74.43973
   46    45 S   H    _H47    55     1.01587   117.21393    74.62799
   47    42 S   CO   _C15    63     1.43027   113.85724  -147.59434
   48    47 S   HC   _H41    64     1.09726   109.29717   -45.03922
   49    43 S   OS   _O23    44     1.42695   110.99141   -53.74798
   50    43 S   OH   _O26    52     1.42388   109.54551  -176.10987
   51    50 S   HO   _H50    53     0.97194   106.66339  -159.62619
   52    45 S   C    _C5_    56     1.38291   123.35814   -99.29821
   53    52 S   O    _O19    57     1.22803   125.60690    -4.85994
   54    47 S   CT   _C11    65     1.53910   108.95750  -163.82379
   55    54 S   HC   _H37    66     1.09596   110.08742    64.04768
   56    33 S   CT   _C13    45     1.54668   111.67882  -149.10447
   57    56 S   HC   _H39    46     1.09950   108.70260   173.41203
   58    52 S   CT   _C16    58     1.50429   112.37920   176.23797
   59    58 S   HC   _H42    59     1.09331   109.47669    72.63908
   60    58 S   HC   _H43    60     1.09348   109.64294  -167.47240
   61    58 S   HC   _H44    61     1.09382   110.33867   -47.92371
   62    54 S   CT   _C10    67     1.53639   109.26965  -175.69620
   63    62 S   HC   _H36    68     1.09770   107.85828   -68.03865
   64    54 S   OS   _O29    81     1.43265   108.58176   -55.31766
   65    56 S   CT   _C17    47     1.52938   114.59263    53.58755
   66    65 S   HC   _H45    48     1.09199   110.53285    46.37253
   67    65 S   HC   _H46    49     1.09364   112.39952   -76.94038
   68    62 S   CT   _C8_    69     1.53560   112.35872    50.93213
   69    68 S   HC   _H34    70     1.09595   109.97432  -174.51252
   70    62 S   OH   _O25    79     1.42303   110.46921   175.93341
   71    70 S   HO   _H49    80     0.97157   107.95477  -168.92168
   72    64 S   SY   _S31    82     1.64058   120.43704   121.49887
   73    72 S   OY   _O17    83     1.46221   104.99993   -48.41635
   74    72 S   OY   _O20    84     1.46178   103.41478  -168.20348
   75    72 S   OY   _O21    85     1.46148   104.41330    72.07008
   76    65 S   OH   _O27    50     1.42657   108.73660   164.49721
   77    76 S   HO   _H51    51     0.97574   107.09796  -162.62859
   78    68 S   CT   _C6_    71     1.53128   108.98972   -52.48005
   79    78 S   HC   _H32    72     1.09935   109.04204   -61.52609
   80    68 S   OH   _O24    77     1.42821   109.21750    68.63446
   81    80 S   HO   _H48    78     0.97473   106.94611  -176.35901
   82    47 S   OS   _O22    73     1.43377   110.31960    74.52873
   83    78 S   CO3  _C4_    74     1.53881   116.39822   179.11133
   84    83 S   O2Z  _O16    75     1.26555   114.67803   174.31173
   85    83 S   O2Z  _O18    76     1.26317   116.18864    -4.68906
  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
  16   8   2   1   1  18   7  14   8  11  10   5   9   3  13   6
   8   2   1   5   4  15   7   6   4   3   2   1   1  13   7   7
   4   3   2  11   7   3   1   3   2   1   1   1   1   7   5   3
   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    56    57    65    66    67    76    45    42    47  
   38    39    40    49    56    57    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    65    50    45    46    52    42    47    48    54    82  
   40    41    43    56    45    42    47  
   41    43    44    49    56    50    51    45    46    52    53    58    42    47  
   43    44    49    50    45    46    52    42  
   47    48    54    55    62    78    82    64    43    45    56  
   44    49    56    57    65    50    51    45    46    52  
   49    56    50    51    45  
   46    52    53    58    59    60    61    49    50  
   52    53    58  
   48    54    55    62    63    68    78    79    82    83    70    64    72  
   54    55    62    78    82    64  
   56    57    65    66    67    76    50    51  
   51    56  
    0  
   53    58    59    60    61  
   58    59    60    61  
   55    62    63    68    69    78    82    80    70    71    64    72    73    74    75  
   62    63    68    82    70    64    72  
   57    65    66    67    76    77  
   65    66    67    76  
   59    60    61  
   60    61  
   61  
    0  
   63    68    69    78    79    82    83    80    81    70    71    64    72  
   68    69    78    80    70    71    64  
   72    73    74    75    68    70    82  
   66    67    76    77  
   67    76    77  
   76    77  
   69    78    79    82    83    84    85    80    81    70    71  
   78    79    82    83    80    81    70  
   71    78    80  
    0  
   73    74    75  
   74    75  
   75  
    0  
   77  
    0  
   79    82    83    84    85    80    81  
   82    83    84    85    80  
   81    82    83  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   73   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   74   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   75   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   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    56   268.000  1.529
   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    43   250.000  1.527
   40    45   337.000  1.449
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   380.000  1.407
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    76   320.000  1.410
   76    77   553.000  0.945
   50    51   553.000  0.945
   45    46   434.000  1.010
   45    52   490.000  1.335
   52    53   570.000  1.229
   52    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    54   250.000  1.527
   47    82   320.000  1.380
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    64   320.000  1.410
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   320.000  1.410
   68    69   340.000  1.090
   68    78   268.000  1.529
   68    80   320.000  1.410
   78    79   340.000  1.090
   78    82   320.000  1.410
   78    83   317.000  1.522
   83    84   656.000  1.250
   83    85   656.000  1.250
   80    81   553.000  0.945
   70    71   553.000  0.945
   64    72   335.000  1.682
   72    73   735.000  1.471
   72    74   735.000  1.471
   72    75   735.000  1.471
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    56    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    56    49    50.00000  109.50000
   33    56    57    37.50000  110.70000
   33    56    65    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    70.00000  110.72300
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  110.19100
   40    45    46    38.00000  118.40000
   40    45    52    50.00000  121.90000
   43    40    41    45.00000  108.72000
   43    49    56    60.00000  109.50000
   43    50    51    70.00000  107.92000
   49    43    44    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    65    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    76    50.00000  109.50000
   65    56    57    37.50000  110.70000
   65    76    77    55.00000  108.50000
   67    65    66    33.00000  107.80000
   76    65    66    35.00000  109.50000
   76    65    67    35.00000  109.50000
   50    43    44    60.00000  108.02500
   50    43    49   110.00000  112.08000
   45    40    41    35.00000  109.50000
   45    40    43    70.00000  110.72300
   45    52    53    80.00000  122.90000
   45    52    58    70.00000  116.60000
   52    45    46    35.00000  119.80000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   58    52    53    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    54    90.00000  108.56700
   42    47    82    92.60000  111.55000
   47    54    55    45.00000  108.72000
   47    54    62    75.00000  109.43000
   47    54    64    90.00000  109.38000
   47    82    78    60.00000  109.50000
   54    47    48    45.00000  112.01100
   54    62    63    37.50000  110.70000
   54    62    68    58.35000  112.70000
   54    62    70    50.00000  109.50000
   54    64    72   100.00000  113.05000
   62    54    55    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    78    58.35000  112.70000
   62    68    80    50.00000  109.50000
   62    70    71    55.00000  108.50000
   68    62    63    37.50000  110.70000
   68    78    79    37.50000  110.70000
   68    78    82    50.00000  109.50000
   68    78    83    70.00000  109.69300
   68    80    81    55.00000  108.50000
   78    68    69    37.50000  110.70000
   78    83    84    70.00000  117.00000
   78    83    85    70.00000  117.00000
   82    47    48    35.00000  109.50000
   82    47    54    90.00000  108.56700
   82    78    79    35.00000  109.50000
   83    78    79    35.00000  109.50000
   83    78    82    85.00000  109.63000
   85    83    84    80.00000  126.00000
   80    68    69    35.00000  109.50000
   80    68    78    50.00000  109.50000
   70    62    63    35.00000  109.50000
   70    62    68    50.00000  109.50000
   64    54    55    35.00000  109.50000
   64    54    62    50.00000  109.50000
   64    72    73   135.00000  106.70400
   64    72    74   135.00000  106.70400
   64    72    75   135.00000  106.70400
   74    72    73   115.00000  120.17200
   75    72    73   115.00000  120.17200
   75    72    74   115.00000  120.17200
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    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   0.15000  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    56    49   0.56750  1.0 1.0
   29    33    56    49  -0.07550 -1.0 2.0
   29    33    56    49   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    65   0.44750  1.0 1.0
   29    33    56    65  -0.17800 -1.0 2.0
   29    33    56    65   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45  -0.27100  1.0 1.0
   33    38    40    45  -0.01700 -1.0 2.0
   33    38    40    45  -0.48600  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    56    65    66   0.15000  1.0 3.0
   33    56    65    67   0.15000  1.0 3.0
   33    56    65    76   0.86500  1.0 1.0
   33    56    65    76  -0.17500 -1.0 2.0
   33    56    65    76   0.20800  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    56    49   0.23400  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    65   0.15000  1.0 3.0
   38    33    56    49   0.62750  1.0 1.0
   38    33    56    49  -0.30950 -1.0 2.0
   38    33    56    49   0.27300  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    65   0.56750  1.0 1.0
   38    33    56    65  -0.07550 -1.0 2.0
   38    33    56    65   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.86500  1.0 1.0
   38    40    43    50  -0.17500 -1.0 2.0
   38    40    43    50   0.20800  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    52  -0.43950  1.0 1.0
   38    40    45    52  -0.08100 -1.0 2.0
   38    40    45    52   0.03350  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    54   0.06250  1.0 1.0
   38    42    47    54  -0.01100 -1.0 2.0
   38    42    47    54   0.28050  1.0 3.0
   38    42    47    82  -0.53350  1.0 1.0
   38    42    47    82  -0.78350 -1.0 2.0
   38    42    47    82   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    56   0.06250  1.0 1.0
   40    43    49    56  -0.01100 -1.0 2.0
   40    43    49    56   0.28050  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   40    45    52    53   3.04450 -1.0 2.0
   40    45    52    58   1.49850  1.0 1.0
   40    45    52    58   1.53950 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    52  -0.43950  1.0 1.0
   43    40    45    52  -0.08100 -1.0 2.0
   43    40    45    52   0.03350  1.0 3.0
   43    49   -56    33   0.06250  1.0 1.0
   43    49   -56    33  -0.01100 -1.0 2.0
   43    49   -56    33   0.28050  1.0 3.0
   43    49    56    57   0.37050  1.0 3.0
   43    49    56    65   0.06250  1.0 1.0
   43    49    56    65  -0.01100 -1.0 2.0
   43    49    56    65   0.28050  1.0 3.0
   44    43    49    56   0.37050  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.50000  1.0 1.0
   49    43    50    51  -0.73950 -1.0 2.0
   49    43    50    51   0.17150  1.0 3.0
   49    56    65    66   0.23400  1.0 3.0
   49    56    65    67   0.23400  1.0 3.0
   49    56    65    76   3.69350  1.0 1.0
   49    56    65    76  -1.82950 -1.0 2.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    65    76    77  -0.11600  1.0 1.0
   56    65    76    77  -0.09450 -1.0 2.0
   56    65    76    77   0.21250  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    76   0.23400  1.0 3.0
   66    65    76    77   0.19450  1.0 3.0
   67    65    76    77   0.19450  1.0 3.0
   50    43    49    56  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    49   1.12100  1.0 1.0
   45    40    43    49  -0.16500 -1.0 2.0
   45    40    43    50   2.76900  1.0 1.0
   45    40    43    50  -0.24350 -1.0 2.0
   45    40    43    50  -0.78250  1.0 3.0
   45    52    58    59   0.00000  1.0 1.0
   45    52    58    60   0.00000  1.0 1.0
   45    52    58    61   0.00000  1.0 1.0
   46    45    52    53   2.45000 -1.0 2.0
   46    45    52    58   2.45000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.12100  1.0 1.0
   42    38    40    45  -0.16500 -1.0 2.0
   42    47    54    55   0.23400  1.0 3.0
   42    47    54    62   0.62750  1.0 1.0
   42    47    54    62  -0.30950 -1.0 2.0
   42    47    54    62   0.27300  1.0 3.0
   42    47    54    64   1.11900  1.0 1.0
   42    47    54    64  -1.16350 -1.0 2.0
   42    47    54    64  -0.34150  1.0 3.0
   42    47    82    78  -0.81800  1.0 1.0
   47    54    62    63   0.15000  1.0 3.0
   47    54    62    68   3.97050  1.0 1.0
   47    54    62    70   0.86500  1.0 1.0
   47    54    62    70  -0.17500 -1.0 2.0
   47    54    62    70   0.20800  1.0 3.0
   47    54    64    72   0.37500  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    62   0.15000  1.0 3.0
   48    47    54    64   0.23400  1.0 3.0
   48    47    82    78   0.37050  1.0 3.0
   54    47    82    78   0.06250  1.0 1.0
   54    47    82    78  -0.01100 -1.0 2.0
   54    47    82    78   0.28050  1.0 3.0
   54    62    68    69   0.15000  1.0 3.0
   54    62   -68    78   0.56750  1.0 1.0
   54    62   -68    78  -0.07550 -1.0 2.0
   54    62   -68    78   0.20000  1.0 3.0
   54    62    68    80   0.86500  1.0 1.0
   54    62    68    80  -0.17500 -1.0 2.0
   54    62    68    80   0.20800  1.0 3.0
   54    62    70    71  -0.11600  1.0 1.0
   54    62    70    71  -0.09450 -1.0 2.0
   54    62    70    71   0.21250  1.0 3.0
   54    64    72    73   0.29800  1.0 3.0
   54    64    72    74   0.29800  1.0 3.0
   54    64    72    75   0.29800  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    68   0.15000  1.0 3.0
   55    54    62    70   0.23400  1.0 3.0
   55    54    64    72   0.00000  1.0 1.0
   62    54    64    72   0.37500  1.0 3.0
   62    68    78    79   0.15000  1.0 3.0
   62    68    78    82   0.62750  1.0 1.0
   62    68    78    82  -0.30950 -1.0 2.0
   62    68    78    82   0.27300  1.0 3.0
   62    68    78    83  -1.63150  1.0 1.0
   62    68    78    83  -0.43550 -1.0 2.0
   62    68    78    83   0.24500  1.0 3.0
   62    68    80    81  -0.11600  1.0 1.0
   62    68    80    81  -0.09450 -1.0 2.0
   62    68    80    81   0.21250  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    78   0.15000  1.0 3.0
   63    62    68    80   0.23400  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71  -0.11600  1.0 1.0
   68    62    70    71  -0.09450 -1.0 2.0
   68    62    70    71   0.21250  1.0 3.0
   68    78   -82    47   0.06250  1.0 1.0
   68    78   -82    47  -0.01100 -1.0 2.0
   68    78   -82    47   0.28050  1.0 3.0
   68    78    83    84   0.41150 -1.0 2.0
   68    78    83    85   0.41150 -1.0 2.0
   69    68    78    79   0.15000  1.0 3.0
   69    68    78    82   0.23400  1.0 3.0
   69    68    78    83  -0.11250  1.0 3.0
   69    68    80    81   0.19450  1.0 3.0
   78    68    80    81  -0.11600  1.0 1.0
   78    68    80    81  -0.09450 -1.0 2.0
   78    68    80    81   0.21250  1.0 3.0
   79    78    82    47   0.37050  1.0 3.0
   79    78    83    84   0.00000  1.0 1.0
   79    78    83    85   0.00000  1.0 1.0
   82    47    54    55   0.23400  1.0 3.0
   82    47   -54    62   0.62750  1.0 1.0
   82    47   -54    62  -0.30950 -1.0 2.0
   82    47   -54    62   0.27300  1.0 3.0
   82    47    54    64   1.11900  1.0 1.0
   82    47    54    64  -1.16350 -1.0 2.0
   82    47    54    64  -0.34150  1.0 3.0
   82    78    83    84   0.30150 -1.0 2.0
   82    78    83    85   0.30150 -1.0 2.0
   83    78    82    47  -1.11000  1.0 1.0
   83    78    82    47   0.50250 -1.0 2.0
   83    78    82    47   0.47450  1.0 3.0
   80    68    78    79   0.23400  1.0 3.0
   80    68    78    82   3.69350  1.0 1.0
   80    68    78    82  -1.82950 -1.0 2.0
   80    68    78    83  -5.33000  1.0 1.0
   80    68    78    83  -0.54250 -1.0 2.0
   80    68    78    83  -0.07300  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    78   0.86500  1.0 1.0
   70    62    68    78  -0.17500 -1.0 2.0
   70    62    68    78   0.20800  1.0 3.0
   70    62    68    80   3.75450  1.0 1.0
   64    54    62    63   0.23400  1.0 3.0
   64    54    62    68   0.62750  1.0 1.0
   64    54    62    68  -0.30950 -1.0 2.0
   64    54    62    68   0.27300  1.0 3.0
   64    54    62    70   3.69350  1.0 1.0
   64    54    62    70  -1.82950 -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
   46    52    45    40   1.00000 -1.0 2.0
   45    58    52    53  10.50000 -1.0 2.0
   84    78    83    85  10.50000 -1.0 2.0
END
