* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     95    145     279
    1     0 S   NP   _N1_     1    28.11358    96.13160   -22.41244
    2     1 S   H    _HN1     2     1.02777   101.10734  -118.45515
    3     1 S   H    _H1_     3     1.02958    79.65182   -11.59301
    4     1 S   H    _H2_     4     1.02836    32.52497   135.60582
    5     1 S   CT   _CA1     5     1.50131   138.72263    97.60031
    6     5 S   HC   _HA1     6     1.09575   105.21243    79.86753
    7     5 S   CO3  _C1_     7     1.53779   112.37556   -40.32380
    8     7 S   O2Z  _O11     8     1.26365   114.99191   -43.64200
    9     7 S   O2Z  _O12     9     1.26235   114.93328   135.44810
   10     5 S   CT   _CB1    10     1.53091   107.41910  -162.22175
   11    10 S   HC   HB11    11     1.09828   109.31903   -50.49498
   12    10 S   HC   HB12    12     1.09816   110.43149    66.05710
   13    10 S   CT   _CG1    13     1.53019   112.67895  -171.56446
   14    13 S   HC   HG11    14     1.09593   110.50168   -64.68694
   15    13 S   HC   HG12    15     1.09658   109.91014    54.52109
   16    13 S   C    _CD1    16     1.51838   112.30179   174.88362
   17    16 S   O    _OE1    17     1.22749   123.27629     0.88404
   18    16 S   N    _N2_    18     1.38565   111.71687  -179.10453
   19    18 S   H    _HN2    19     1.01555   119.02664     4.47098
   20    18 S   CT1  _CA2    20     1.45859   122.85492   177.71227
   21    20 S   HC   _HA2    21     1.09710   108.95992    24.27739
   22    20 S   C    _C2_    22     1.52857   106.66464   -93.01747
   23    22 S   O    _O2_    23     1.23009   122.87175   -31.15211
   24    20 S   CT   _CB2    32     1.53136   112.24701   147.54394
   25    24 S   HC   HB21    33     1.09611   110.24719    54.45111
   26    24 S   HC   HB22    34     1.09462   110.04928   173.33803
   27    22 S   N    _N3_    24     1.38457   112.73217   151.55812
   28    27 S   H    _HN3    25     1.01671   120.40800    -1.40667
   29    24 S   S    _SG2    35     1.82531   111.17289   -66.21908
   30    27 S   CT   _CA3    26     1.45362   122.36401   178.72466
   31    30 S   HC   HA31    27     1.09569   107.46709   -62.80985
   32    30 S   HC   HA32    28     1.09569   107.92611    53.48097
   33    29 S   CT   _C7_    36     1.81378    99.24324   172.21112
   34    33 S   HC   _H5_    37     1.09743   108.00942   -61.32181
   35    30 S   CO3  _C3_    29     1.52866   114.44960   175.41038
   36    35 S   O2Z  _O31    30     1.26310   116.10395    -3.90801
   37    35 S   O2Z  _O32    31     1.26453   114.38371   176.21612
   38    33 S   CO4  _C8_    38     1.50872   111.97804  -177.89364
   39    38 S   O    _O33    39     1.22120   127.27886    32.96652
   40    38 S   OS   _O34    40     1.37263   108.70568  -150.08940
   41    40 S   CT   _C5_    41     1.43939   109.45250    -0.83790
   42    41 S   HC   _H3_    42     1.09848   106.83072   -90.52205
   43    33 S   CT   _C6_    43     1.52338   117.75471    64.12826
   44    43 S   HC   _H4_    44     1.09755   110.69227   -85.40534
   45    41 S   CT   _C4_    48     1.52463   110.40847   150.39954
   46    45 S   HC   _H6_    49     1.09676   110.32797   -45.28418
   47    45 S   HC   _H7_    50     1.09696   109.45784  -164.49648
   48    43 S   CO3  _C9_    45     1.54478   115.61824    37.90325
   49    48 S   O2Z  _O36    46     1.26194   116.54660    50.88398
   50    48 S   O2Z  _O35    47     1.26503   114.16274  -129.01295
   51    45 S   CO3  _C10    51     1.53466   115.59485    75.40052
   52    51 S   O2Z  _O38    52     1.26122   116.92592     2.06801
   53    51 S   O2Z  _O37    53     1.26584   114.00191  -178.30073
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1   8   3   9  12   7   8   4   6   4   3   2
   1   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    48    49    50    45  
   38    39    40    41    43    44    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    45  
   40    41    43  
   41    42    43    44    48    45    46    47    51  
   42    43    44    48    49    50    45    46    47    51    52    53  
   43    44    48    45    46    47    51  
   44    48    49    50    45    46    47    51  
   48    49    50    45  
   46    47    51    52    53    48  
   47    51    52    53  
   51    52    53  
   49    50  
   50  
    0  
   52    53  
   53  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   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   317.000  1.522
   33    43   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.522
   51    52   656.000  1.250
   51    53   656.000  1.250
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  110.18000
   29    33    43    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    43    41    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    48    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    50.00000  109.50000
   40    41    45    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    48    70.00000  109.69300
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    51    70.00000  109.69300
   43    33    34    37.50000  110.70000
   43    33    38    63.00000  111.10000
   43    41    42    37.50000  110.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   48    43    44    35.00000  109.50000
   50    48    49    80.00000  126.00000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    51    52    70.00000  117.00000
   45    51    53    70.00000  117.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   53    51    52    80.00000  126.00000
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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.30150 -1.0 2.0
   29    33    38    40   0.40000  1.0 3.0
   29    33    43    41   0.44750  1.0 1.0
   29    33    43    41  -0.17800 -1.0 2.0
   29    33    43    41   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    38   -40    41   1.63150  1.0 1.0
   33    38   -40    41   2.92000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    41   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    48  -0.11250  1.0 3.0
   38    33   -43    41  -0.95700  1.0 1.0
   38    33   -43    41  -0.18200 -1.0 2.0
   38    33   -43    41   0.29450  1.0 3.0
   38    33    43    44  -0.11250  1.0 3.0
   38    33    43    48  -0.30950  1.0 1.0
   38    33    43    48   1.11150 -1.0 2.0
   38    33    43    48   0.40350  1.0 3.0
   38    40    41    42   0.08050  1.0 3.0
   38    40   -41    43  -0.25900  1.0 1.0
   38    40   -41    43  -0.47000 -1.0 2.0
   38    40   -41    43   0.11750  1.0 3.0
   38    40    41    45  -0.25900  1.0 1.0
   38    40    41    45  -0.47000 -1.0 2.0
   38    40    41    45   0.11750  1.0 3.0
   39    38    40    41   3.00000 -1.0 2.0
   40    41   -43    33   0.62750  1.0 1.0
   40    41   -43    33  -0.30950 -1.0 2.0
   40    41   -43    33   0.27300  1.0 3.0
   40    41    43    44   0.23400  1.0 3.0
   40    41    43    48  -3.35100  1.0 1.0
   40    41    43    48  -0.37050 -1.0 2.0
   40    41    43    48   0.22400  1.0 3.0
   40    41    45    46   0.23400  1.0 3.0
   40    41    45    47   0.23400  1.0 3.0
   40    41    45    51  -3.35100  1.0 1.0
   40    41    45    51  -0.37050 -1.0 2.0
   40    41    45    51   0.22400  1.0 3.0
   41    43    48    49   0.41150 -1.0 2.0
   41    43    48    50   0.41150 -1.0 2.0
   41    45    51    52   0.41150 -1.0 2.0
   41    45    51    53   0.41150 -1.0 2.0
   42    41    43    33   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    48  -0.11250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    51  -0.11250  1.0 3.0
   43    33    38    39   0.30150 -1.0 2.0
   43    33   -38    40   0.36750  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    51  -1.63150  1.0 1.0
   43    41    45    51  -0.43550 -1.0 2.0
   43    41    45    51   0.24500  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    41    43    33   0.56750  1.0 1.0
   45    41    43    33  -0.07550 -1.0 2.0
   45    41    43    33   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    48  -1.63150  1.0 1.0
   45    41    43    48  -0.43550 -1.0 2.0
   45    41    43    48   0.24500  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   47    45    51    52   0.00000  1.0 1.0
   47    45    51    53   0.00000  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
   33    40    38    39  10.50000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
   52    45    51    53  10.50000 -1.0 2.0
END
