* LIGAND DATABASE FILE (OPLS2005)
*
001      50    50     87    133     257
    1     0 S   NP   _N1_     1    28.78188    95.55288   -23.19108
    2     1 S   H    _HN1     2     1.02950    76.78906    13.93350
    3     1 S   H    _H1_     3     1.02829    33.85399   166.95785
    4     1 S   H    _H2_     4     1.02784   104.20030   -91.99589
    5     1 S   CT   _CA1     5     1.50114   137.34210   119.80941
    6     5 S   HC   _HA1     6     1.09573   105.19815    85.11086
    7     5 S   CO3  _C1_     7     1.53791   112.46946   -35.11832
    8     7 S   O2Z  _O11     8     1.26371   115.00417   -42.26153
    9     7 S   O2Z  _O12     9     1.26242   114.95047   136.88881
   10     5 S   CT   _CB1    10     1.53085   107.42574  -156.90427
   11    10 S   HC   HB11    11     1.09831   109.37286   -49.79886
   12    10 S   HC   HB12    12     1.09813   110.44291    66.81130
   13    10 S   CT   _CG1    13     1.52986   112.60302  -170.78855
   14    13 S   HC   HG11    14     1.09584   110.60779   -65.47335
   15    13 S   HC   HG12    15     1.09671   109.80224    53.74946
   16    13 S   C    _CD1    16     1.51801   112.27505   174.19640
   17    16 S   O    _OE1    17     1.22725   123.31504     5.93835
   18    16 S   N    _N2_    18     1.38657   111.64064  -174.14325
   19    18 S   H    _HN2    19     1.01584   118.90748     1.79417
   20    18 S   CT1  _CA2    20     1.46191   123.40787   177.59052
   21    20 S   HC   _HA2    21     1.09735   109.38484     1.87784
   22    20 S   C    _C2_    22     1.53539   108.59196  -113.59811
   23    22 S   O    _O2_    23     1.23057   122.28126  -147.94135
   24    20 S   CT   _CB2    32     1.53268   111.55445   123.92923
   25    24 S   HC   HB21    33     1.09634   110.15235    56.08628
   26    24 S   HC   HB22    34     1.09570   110.27690   174.73322
   27    22 S   N    _N3_    24     1.38324   113.69474    39.50587
   28    27 S   H    _HN3    25     1.01590   119.58392    -3.35421
   29    24 S   S    _SG2    35     1.82607   111.61436   -65.19898
   30    27 S   CT   _CA3    26     1.45288   123.21040   177.11439
   31    30 S   HC   HA31    27     1.09549   107.51061   -64.55018
   32    30 S   HC   HA32    28     1.09556   107.98591    51.88919
   33    29 S   CM   _C8_    36     1.74756    99.37345   177.69327
   34    30 S   CO3  _C3_    29     1.52958   114.07620   173.88189
   35    34 S   O2Z  _O31    30     1.26377   116.05933    -0.78708
   36    34 S   O2Z  _O32    31     1.26427   114.41396   179.27584
   37    33 S   CM   _C7_    37     1.34584   119.54105    89.47156
   38    37 S   HC   _H6_    38     1.08803   120.30960     0.60198
   39    37 S   CT   _C6_    39     1.50479   123.60111  -178.60647
   40    39 S   HC   _H3_    40     1.09671   108.47333   123.57048
   41    39 S   CM   _C5_    41     1.50244   113.56039     1.98731
   42    41 S   Cl   Cl1_    42     1.73021   116.31639   176.06637
   43    39 S   OH   _O34    49     1.42590   108.47520  -119.34103
   44    43 S   HO   _H8_    50     0.97228   107.75408   -59.47807
   45    41 S   CM   _C4_    43     1.34093   123.49579    -2.20620
   46    45 S   HC   _H5_    44     1.08708   120.15320   179.30592
   47    33 S   CT   _C9_    45     1.51445   118.17610   -89.72516
   48    47 S   HC   _H4_    46     1.09692   109.16965    55.13817
   49    47 S   OH   _O33    47     1.42649   109.08599   -62.61988
   50    49 S   HO   _H7_    48     0.97222   107.73262   173.39339
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1  11   5   8   5   8   4   2   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    47    48    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    46    47    48    49    50    43  
   35    36  
   36  
    0  
   38    39    40    41    42    45    47    48    49    43    44  
   39    40    41    47    43  
   40    41    42    45    46    47    43    44  
   41    42    45    43    44  
   42    45    46    47    48    49    43    44  
   45    46    47    43  
   44    45  
    0  
   46    47    48    49    50  
   47    48    49  
   48    49    50  
   49    50  
   50  
    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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    47   317.000  1.510
   37    38   340.000  1.080
   37    39   317.000  1.510
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    43   320.000  1.410
   41    42   300.000  1.725
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   340.000  1.090
   47    49   320.000  1.410
   49    50   553.000  0.945
   43    44   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    47    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  124.00000
   33    47    45    70.00000  110.12100
   33    47    48    35.00000  109.50000
   33    47    49    90.00000  110.39200
   37    39    40    35.00000  109.50000
   37    39    41    70.00000  110.12100
   37    39    43    90.00000  110.39200
   39    37    38    35.00000  117.00000
   39    41    42    75.00000  111.02000
   39    41    45    70.00000  124.00000
   39    43    44    55.00000  108.50000
   41    39    40    35.00000  109.50000
   41    45    46    35.00000  120.00000
   41    45    47    70.00000  124.00000
   45    41    42    75.00000  121.50000
   45    47    48    35.00000  109.50000
   45    47    49    90.00000  110.39200
   47    33    37    70.00000  124.00000
   47    45    46    35.00000  117.00000
   47    49    50    55.00000  108.50000
   49    47    48    35.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  110.39200
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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   1.00000 -1.0 2.0
   24    29    33    47   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    47    45   0.09700  1.0 1.0
   29    33    47    45   0.15600 -1.0 2.0
   29    33    47    45  -0.50800  1.0 3.0
   29    33    47    48   0.00000  1.0 1.0
   29    33    47    49   0.09700  1.0 1.0
   29    33    47    49   0.15600 -1.0 2.0
   29    33    47    49  -0.50800  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    41  -0.28300  1.0 1.0
   33    37    39    41   0.26700 -1.0 2.0
   33    37    39    41  -0.63300  1.0 3.0
   33    37    39    43   0.67800  1.0 1.0
   33    37    39    43   0.47050 -1.0 2.0
   33    37    39    43  -0.62500  1.0 3.0
   33    47    49    50  -0.07800  1.0 1.0
   33    47    49    50  -0.21500 -1.0 2.0
   33    47    49    50  -0.03150  1.0 3.0
   37    33    47    45  -0.28300  1.0 1.0
   37    33    47    45   0.26700 -1.0 2.0
   37    33    47    45  -0.63300  1.0 3.0
   37    33    47    48   0.00000  1.0 1.0
   37    33    47    49   0.67800  1.0 1.0
   37    33    47    49   0.47050 -1.0 2.0
   37    33    47    49  -0.62500  1.0 3.0
   37    39    41    42   0.09700  1.0 1.0
   37    39    41    42   0.15600 -1.0 2.0
   37    39    41    42  -0.50800  1.0 3.0
   37    39   -41    45  -0.28300  1.0 1.0
   37    39   -41    45   0.26700 -1.0 2.0
   37    39   -41    45  -0.63300  1.0 3.0
   37    39    43    44  -0.07800  1.0 1.0
   37    39    43    44  -0.21500 -1.0 2.0
   37    39    43    44  -0.03150  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    41   0.00000  1.0 1.0
   38    37    39    43   0.00000  1.0 1.0
   39    41    45    46   7.00000 -1.0 2.0
   39    41    45    47   7.00000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.07800  1.0 1.0
   41    39    43    44  -0.21500 -1.0 2.0
   41    39    43    44  -0.03150  1.0 3.0
   41    45   -47    33  -0.28300  1.0 1.0
   41    45   -47    33   0.26700 -1.0 2.0
   41    45   -47    33  -0.63300  1.0 3.0
   41    45    47    48   0.00000  1.0 1.0
   41    45    47    49   0.67800  1.0 1.0
   41    45    47    49   0.47050 -1.0 2.0
   41    45    47    49  -0.62500  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    47   7.00000 -1.0 2.0
   45    47    49    50  -0.07800  1.0 1.0
   45    47    49    50  -0.21500 -1.0 2.0
   45    47    49    50  -0.03150  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   47    33    37    38   7.00000 -1.0 2.0
   47    33   -37    39   7.00000 -1.0 2.0
   48    47    49    50   0.19450  1.0 3.0
   43    39    41    42   0.09700  1.0 1.0
   43    39    41    42   0.15600 -1.0 2.0
   43    39    41    42  -0.50800  1.0 3.0
   43    39    41    45   0.67800  1.0 1.0
   43    39    41    45   0.47050 -1.0 2.0
   43    39    41    45  -0.62500  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
   35    30    34    36  10.50000 -1.0 2.0
   29    47    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   39    42    41    45   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
END
