* LIGAND DATABASE FILE (OPLS2005)
*
001      51    51     89    137     263
    1     0 S   NP   _N1_     1    28.16913    95.43333   -22.27538
    2     1 S   H    _HN1     2     1.02776    96.74675  -117.29861
    3     1 S   H    _H1_     3     1.02956    84.46799    -9.43019
    4     1 S   H    _H2_     4     1.02834    30.56740   128.61197
    5     1 S   CT   _CA1     5     1.50136   139.74878   105.85654
    6     5 S   HC   _HA1     6     1.09576   105.20742    71.33648
    7     5 S   CO3  _C1_     7     1.53782   112.33770   -48.83269
    8     7 S   O2Z  _O11     8     1.26366   114.99502   -44.34820
    9     7 S   O2Z  _O12     9     1.26234   114.92868   134.68731
   10     5 S   CT   _CB1    10     1.53090   107.41128  -170.77977
   11    10 S   HC   HB11    11     1.09828   109.31252   -50.54694
   12    10 S   HC   HB12    12     1.09815   110.44173    66.00250
   13    10 S   CT   _CG1    13     1.53017   112.67623  -171.61494
   14    13 S   HC   HG11    14     1.09596   110.49710   -64.73375
   15    13 S   HC   HG12    15     1.09658   109.91529    54.46661
   16    13 S   C    _CD1    16     1.51841   112.29367   174.81930
   17    16 S   O    _OE1    17     1.22759   123.29195     0.87223
   18    16 S   N    _N2_    18     1.38516   111.71810  -179.05913
   19    18 S   H    _HN2    19     1.01572   119.18270     3.27405
   20    18 S   CT1  _CA2    20     1.45878   122.92043   178.39819
   21    20 S   HC   _HA2    21     1.09729   108.82569    26.75397
   22    20 S   C    _C2_    22     1.52935   106.97668   -90.39150
   23    22 S   O    _O2_    23     1.22997   123.04137   -28.11543
   24    20 S   CT   _CB2    32     1.53249   112.10058   149.92028
   25    24 S   HC   HB21    33     1.09433   109.57802    55.47636
   26    24 S   HC   HB22    34     1.09499   109.97095   174.05034
   27    22 S   N    _N3_    24     1.38512   112.62330   154.45788
   28    27 S   H    _HN3    25     1.01659   120.33682    -1.40333
   29    24 S   S    _SG2    35     1.83175   110.60370   -65.97622
   30    27 S   CT   _CA3    26     1.45352   122.40857   178.79212
   31    30 S   HC   HA31    27     1.09568   107.63745   -59.41928
   32    30 S   HC   HA32    28     1.09569   107.74695    56.86720
   33    29 S   CT   _C8_    36     1.87242   101.68943   170.06164
   34    33 S   OM   _O34    37     1.32492   109.19137    59.50851
   35    30 S   CO3  _C3_    29     1.52877   114.43667   178.76933
   36    35 S   O2Z  _O31    30     1.26322   116.11310    -0.42058
   37    35 S   O2Z  _O32    31     1.26455   114.39071   179.59895
   38    33 S   CM   _C7_    38     1.53588   110.11770   176.46426
   39    38 S   Cl   Cl1_    39     1.74630   119.58764   -41.31786
   40    38 S   CM   _C6_    40     1.34674   122.94347   141.65348
   41    40 S   HC   _H5_    41     1.08623   120.24614   179.31815
   42    40 S   CM   _C5_    42     1.44499   121.94368     1.63590
   43    42 S   CM   _C4_    43     1.34136   120.44700   -12.29852
   44    43 S   HC   _H4_    44     1.08636   120.84357  -178.95695
   45    42 S   CO3  _C10    49     1.54301   118.39586   168.71277
   46    45 S   O2Z  _O36    50     1.26583   116.00649   -19.93334
   47    45 S   O2Z  _O35    51     1.26648   115.84223   160.08549
   48    33 S   CT   _C9_    45     1.58212   110.85834   -60.47391
   49    48 S   HC   _H3_    46     1.09944   110.35682    86.98271
   50    48 S   OH   _O33    47     1.43643   111.59572   -30.84340
   51    50 S   HO   _H6_    48     0.97201   107.71013  -178.44858
  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   9   4   8   3   8   8   4   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    48    49    50    51  
   38    39    40    43    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    50    45  
   40    41    42    48  
   41    42    43    44    48    45    46    47  
   42    43    45  
   43    44    48    49    50    45    46    47  
   44    48    49    50    51    45    46    47  
   48    49    50    45  
   46    47    48  
   47  
    0  
   49    50    51  
   50    51  
   51  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   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   570.000  1.307
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   300.000  1.725
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   380.000  1.444
   42    43   549.000  1.340
   42    45   230.000  1.545
   43    44   340.000  1.080
   43    48   317.000  1.510
   48    49   340.000  1.090
   48    50   320.000  1.410
   50    51   553.000  0.945
   45    46   656.000  1.250
   45    47   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    75.00000  111.02000
   33    38    40    70.00000  124.00000
   33    48    43    70.00000  112.02700
   33    48    49    37.50000  110.70000
   33    48    50    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  123.01800
   40    38    39    75.00000  121.50000
   40    42    43    70.00000  123.01800
   40    42    45    55.00000  124.75400
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    48    70.00000  124.00000
   42    45    46    85.00000  113.83300
   42    45    47    85.00000  113.83300
   43    48    49    35.00000  109.50000
   43    48    50    90.00000  110.39200
   48    33    34    50.00000  109.50000
   48    33    38    70.00000  112.02700
   48    43    44    35.00000  117.00000
   48    50    51    55.00000  108.50000
   50    48    49    35.00000  109.50000
   45    42    43    55.00000  124.75400
   47    45    46    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    50   0.56750  1.0 1.0
   29    33    48    50  -0.07550 -1.0 2.0
   29    33    48    50   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    50    51  -0.11600  1.0 1.0
   33    48    50    51  -0.09450 -1.0 2.0
   33    48    50    51   0.21250  1.0 3.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    48    43   0.61850  1.0 1.0
   34    33    48    43  -0.22750 -1.0 2.0
   34    33    48    43   0.15300  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    50   3.69350  1.0 1.0
   34    33    48    50  -1.82950 -1.0 2.0
   38    33    48    43   0.31000  1.0 1.0
   38    33    48    43   0.14700 -1.0 2.0
   38    33    48    43   0.07550  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    50   1.05650  1.0 1.0
   38    33    48    50   0.15600 -1.0 2.0
   38    33    48    50   0.53150  1.0 3.0
   38    40   -42    43   0.28850  1.0 1.0
   38    40   -42    43   2.61350 -1.0 2.0
   38    40   -42    43   0.78400  1.0 3.0
   38    40    42    45  -0.18600  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    48   7.00000 -1.0 2.0
   40    42    45    46  -0.04000 -1.0 2.0
   40    42    45    46  -0.29050  1.0 3.0
   40    42    45    47  -0.04000 -1.0 2.0
   40    42    45    47  -0.29050  1.0 3.0
   41    40    42    43  -0.18600  1.0 3.0
   41    40    42    45   0.00000  1.0 1.0
   42    43   -48    33   0.09850  1.0 1.0
   42    43   -48    33   0.15250 -1.0 2.0
   42    43   -48    33  -0.50650  1.0 3.0
   42    43    48    49   0.00000  1.0 1.0
   42    43    48    50   0.67800  1.0 1.0
   42    43    48    50   0.47050 -1.0 2.0
   42    43    48    50  -0.62500  1.0 3.0
   43    42    45    46  -0.04000 -1.0 2.0
   43    42    45    46  -0.29050  1.0 3.0
   43    42    45    47  -0.04000 -1.0 2.0
   43    42    45    47  -0.29050  1.0 3.0
   43    48    50    51  -0.07800  1.0 1.0
   43    48    50    51  -0.21500 -1.0 2.0
   43    48    50    51  -0.03150  1.0 3.0
   44    43    48    33   0.00000  1.0 1.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    50   0.00000  1.0 1.0
   48    33    38    39   0.09700  1.0 1.0
   48    33    38    39   0.15600 -1.0 2.0
   48    33    38    39  -0.50800  1.0 3.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   49    48    50    51   0.19450  1.0 3.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    48   7.00000 -1.0 2.0
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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   46    42    45    47  10.50000 -1.0 2.0
END
