* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    111    168     324
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053    96.09348   -58.15406
    3     1 S   H    _H1_     3     1.02054    83.70032    50.09013
    4     1 S   H    _H2_     4     1.02118    34.33393  -172.69897
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.82859    97.97087  -178.16421
   34    33 S   HC   _H4_    37     1.09682   104.14140   -43.14016
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C11    38     1.51603   110.04882  -159.98280
   39    38 S   CM   _C7_    39     1.46902   116.65178   -93.64204
   40    39 S   CM   _C6_    40     1.34903   120.19230   -10.71421
   41    39 S   CT   _C8_    52     1.50977   113.50582   169.98158
   42    41 S   HC   _H8_    53     1.09182   113.10530   159.36862
   43    41 S   HC   _H9_    54     1.09699   108.57842   -80.63698
   44    40 S   CT   _C5_    41     1.51484   123.41559    -2.27323
   45    44 S   HC   _H3_    42     1.09918   107.33810  -126.21518
   46    40 S   CO4  _C13    49     1.47430   121.01702   179.56749
   47    46 S   O    _O35    50     1.22053   122.18969   149.93248
   48    46 S   HC   _H14    51     1.09800   114.74016   -29.93728
   49    41 S   CT   _C9_    55     1.52099   109.05138    39.16688
   50    49 S   HC   _H10    56     1.09732   111.83261    62.41342
   51    49 S   HC   _H11    57     1.09549   109.80335  -178.57509
   52    33 S   NT   _N4_    43     1.46842   113.67333    70.68467
   53    52 S   H    _H12    44     1.02078   108.09586  -159.28718
   54    44 S   CT   _C4_    45     1.53333   112.29623   117.53175
   55    54 S   HC   _H5_    46     1.08623   109.52066   -62.99580
   56    54 S   HC   _H6_    47     1.08586   109.49976   177.01279
   57    54 S   HC   _H7_    48     1.08659   109.48775    56.98388
   58    49 S   OS   _O33    58     1.42850   111.25236   -59.90693
   59    38 S   CM   _C10    59     1.35396   122.50222    86.65156
   60    59 S   OH   _O34    60     1.38262   120.08596    -2.53064
   61    60 S   HO   _H13    61     0.96159   109.65041   180.00000
  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   8   5   4   3
  13   6   2   1   1  14  17  16   9   5   4  10   7   4   1   1
   5   3   2   6   1   3   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    52    53    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    52    53    54    41    58    59    60  
   38    39    44    52    53    59  
   36    37  
   37  
    0  
   39    40    44    52    53    46    41    42    43    49    58    59    60    61  
   40    44    45    52    54    46    47    48    41    42    43    49    50    51    58    59    60  
   44    45    52    53    54    55    56    57    46    47    48    41    42    43    49    59  
   42    43    49    50    51    58    59    44    46  
   43    49    50    51    58  
   49    50    51    58  
   45    52    53    54    55    56    57    46    47    48  
   52    53    54    55    56    57    46  
   47    48    52    54  
   48  
    0  
   50    51    58    59    60  
   51    58    59  
   58    59  
   53    54    55    56    57    59  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61  
   60    61  
   61  
    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   0.307500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   53   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   60   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    52   382.000  1.448
   38    39   380.000  1.444
   38    59   549.000  1.340
   39    40   549.000  1.340
   39    41   317.000  1.510
   40    44   317.000  1.510
   40    46   320.000  1.462
   44    45   340.000  1.090
   44    52   382.000  1.448
   44    54   268.000  1.529
   52    53   434.000  1.010
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   320.000  1.410
   58    59   440.000  1.360
   59    60   510.000  1.338
   60    61   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  112.20000
   29    33    52    85.00000  109.00000
   33    38    39    70.00000  124.00000
   33    38    59    70.00000  124.00000
   33    52    44    51.80000  107.20000
   33    52    53    35.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.00000
   38    59    58    80.00000  120.01400
   38    59    60    80.00000  121.38400
   39    40    44    70.00000  124.00000
   39    40    46    65.00000  118.96000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    49    70.00000  112.02700
   40    44    45    35.00000  109.50000
   40    44    52    75.00000  110.70900
   40    44    54    70.00000  112.02700
   40    46    47    80.00000  123.72100
   40    46    48    40.00000  115.75000
   44    52    53    35.00000  109.50000
   44    54    55    37.50000  110.70000
   44    54    56    37.50000  110.70000
   44    54    57    37.50000  110.70000
   52    33    34    35.00000  109.50000
   52    33    38    75.00000  110.70900
   52    44    45    35.00000  109.50000
   54    44    45    37.50000  110.70000
   54    44    52    56.20000  109.47000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    40    44    65.00000  116.34900
   48    46    47    35.00000  123.00000
   41    39    40    70.00000  124.00000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    58    50.00000  109.50000
   43    41    42    33.00000  107.80000
   49    41    42    37.50000  110.70000
   49    41    43    37.50000  110.70000
   49    58    59    90.00000  111.18400
   51    49    50    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    51    35.00000  109.50000
   58    59    60   115.00000  116.36000
   59    38    39    70.00000  123.01800
   59    60    61    70.00000  107.45700
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    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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    59   0.42700  1.0 1.0
   29    33    38    59  -0.70350 -1.0 2.0
   29    33    38    59  -0.43150  1.0 3.0
   29    33    52    44   0.23200  1.0 1.0
   29    33    52    44   0.02100 -1.0 2.0
   29    33    52    44   0.24950  1.0 3.0
   29    33    52    53  -0.05900  1.0 1.0
   29    33    52    53   0.08350 -1.0 2.0
   29    33    52    53   0.12500  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38    39    41   0.35650  1.0 1.0
   33    38    39    41   0.31450 -1.0 2.0
   33    38    59    58   7.00000 -1.0 2.0
   33    38    59    60   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    52    44   0.28000  1.0 3.0
   34    33    52    53   0.20000  1.0 3.0
   38    33    52    44  -0.60800  1.0 1.0
   38    33    52    44   1.10050 -1.0 2.0
   38    33    52    44   0.47000  1.0 3.0
   38    33    52    53   0.12450  1.0 1.0
   38    33    52    53  -0.40750 -1.0 2.0
   38    33    52    53   0.30300  1.0 3.0
   38    39   -40    44   7.00000 -1.0 2.0
   38    39    40    46   7.00000 -1.0 2.0
   38    39    41    42   0.00000  1.0 1.0
   38    39    41    43   0.00000  1.0 1.0
   38    39    41    49   0.98200  1.0 1.0
   38    39    41    49  -0.11900 -1.0 2.0
   38    39    41    49   0.24250  1.0 3.0
   38    59    60    61  -0.66100  1.0 1.0
   38    59    60    61   1.20850 -1.0 2.0
   38    59    60    61  -0.36000  1.0 3.0
   39    38    59    58   7.00000 -1.0 2.0
   39    38    59    60   7.00000 -1.0 2.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    52   0.90200  1.0 1.0
   39    40    44    52   0.57900 -1.0 2.0
   39    40    44    52  -0.62100  1.0 3.0
   39    40    44    54   0.09850  1.0 1.0
   39    40    44    54   0.15250 -1.0 2.0
   39    40    44    54  -0.50650  1.0 3.0
   39    40    46    47   1.00000 -1.0 2.0
   39    40    46    48  -0.79650  1.0 1.0
   39    40    46    48   1.60950 -1.0 2.0
   39    40    46    48  -0.26250  1.0 3.0
   39    41    49    50   0.15000  1.0 3.0
   39    41    49    51   0.15000  1.0 3.0
   39    41   -49    58   0.61850  1.0 1.0
   39    41   -49    58  -0.22750 -1.0 2.0
   39    41   -49    58   0.15300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    49   0.09850  1.0 1.0
   40    39    41    49   0.15250 -1.0 2.0
   40    39    41    49  -0.50650  1.0 3.0
   40    44   -52    33  -0.60800  1.0 1.0
   40    44   -52    33   1.10050 -1.0 2.0
   40    44   -52    33   0.47000  1.0 3.0
   40    44    52    53   0.12450  1.0 1.0
   40    44    52    53  -0.40750 -1.0 2.0
   40    44    52    53   0.30300  1.0 3.0
   40    44    54    55   0.15000  1.0 3.0
   40    44    54    56   0.15000  1.0 3.0
   40    44    54    57   0.15000  1.0 3.0
   44    40    46    47  -0.64400  1.0 1.0
   44    40    46    47   0.26850 -1.0 2.0
   44    40    46    48  -0.07900  1.0 1.0
   44    40    46    48   0.77700 -1.0 2.0
   44    40    46    48   0.13200  1.0 3.0
   45    44    52    33   0.28000  1.0 3.0
   45    44    52    53   0.20000  1.0 3.0
   45    44    54    55   0.15000  1.0 3.0
   45    44    54    56   0.15000  1.0 3.0
   45    44    54    57   0.15000  1.0 3.0
   52    33   -38    39   0.90200  1.0 1.0
   52    33   -38    39   0.57900 -1.0 2.0
   52    33   -38    39  -0.62100  1.0 3.0
   52    33    38    59   0.90200  1.0 1.0
   52    33    38    59   0.57900 -1.0 2.0
   52    33    38    59  -0.62100  1.0 3.0
   52    44    54    55   0.15000  1.0 3.0
   52    44    54    56   0.15000  1.0 3.0
   52    44    54    57   0.15000  1.0 3.0
   54    44    52    33   0.23450  1.0 1.0
   54    44    52    33   0.02050 -1.0 2.0
   54    44    52    33   0.25250  1.0 3.0
   54    44    52    53  -0.05950  1.0 1.0
   54    44    52    53   0.08850 -1.0 2.0
   54    44    52    53   0.11750  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    52   0.09700  1.0 1.0
   46    40    44    52   0.15600 -1.0 2.0
   46    40    44    52  -0.50800  1.0 3.0
   46    40    44    54   0.09700  1.0 1.0
   46    40    44    54   0.15600 -1.0 2.0
   46    40    44    54  -0.50800  1.0 3.0
   41    39    40    44   7.00000 -1.0 2.0
   41    39    40    46   7.00000 -1.0 2.0
   41    49    58    59  -0.46850  1.0 1.0
   41    49    58    59   0.09300 -1.0 2.0
   41    49    58    59  -0.12850  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    58   0.23400  1.0 3.0
   43    41    49    50   0.15000  1.0 3.0
   43    41    49    51   0.15000  1.0 3.0
   43    41    49    58   0.23400  1.0 3.0
   49    58   -59    38  -2.26850  1.0 1.0
   49    58   -59    38   3.39050 -1.0 2.0
   49    58    59    60   2.00000 -1.0 2.0
   50    49    58    59   0.08050  1.0 3.0
   51    49    58    59   0.08050  1.0 3.0
   58    59    60    61   2.00000 -1.0 2.0
   59    38    39    40   0.28850  1.0 1.0
   59    38    39    40   2.61350 -1.0 2.0
   59    38    39    40   0.78400  1.0 3.0
   59    38   -39    41  -0.18600  1.0 3.0
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
   33    39    38    59   1.10000 -1.0 2.0
   38    41    39    40   1.10000 -1.0 2.0
   46    44    40    39   1.10000 -1.0 2.0
   40    48    46    47  10.50000 -1.0 2.0
   58    60    59    38   1.10000 -1.0 2.0
END
