* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     96    150     288
    1     0 S   NP   _N1_     1    28.08912    95.95575   -22.51885
    2     1 S   H    _HN1     2     1.02945    80.31946   -23.07789
    3     1 S   H    _H1_     3     1.02831    31.94808   124.09713
    4     1 S   H    _H2_     4     1.02774   101.20086  -130.00887
    5     1 S   CT   _CA1     5     1.50189   138.32341    86.84308
    6     5 S   HC   _HA1     6     1.09579   105.16160    79.64082
    7     5 S   CO3  _C1_     7     1.53810   111.87942   -40.37659
    8     7 S   O2Z  _O11     8     1.26378   115.01878   -52.12867
    9     7 S   O2Z  _O12     9     1.26206   114.90843   126.23648
   10     5 S   CT   _CB1    10     1.53056   107.30542  -162.64997
   11    10 S   HC   HB11    11     1.09841   109.42154   -49.28556
   12    10 S   HC   HB12    12     1.09804   110.50247    67.27839
   13    10 S   CT   _CG1    13     1.53027   112.61645  -170.16351
   14    13 S   HC   HG11    14     1.09588   110.66103   -64.58798
   15    13 S   HC   HG12    15     1.09656   109.81105    54.63568
   16    13 S   C    _CD1    16     1.51878   111.90260   175.14966
   17    16 S   O    _OE1    17     1.22816   123.21241     9.56748
   18    16 S   N    _N2_    18     1.38450   112.01777  -170.83260
   19    18 S   H    _HN2    19     1.01904   119.08897     1.33207
   20    18 S   CT1  _CA2    20     1.45856   122.72105   179.55943
   21    20 S   HC   _HA2    21     1.09741   108.54667    32.23108
   22    20 S   C    _C2_    22     1.52984   107.56532   -85.13109
   23    22 S   O    _O2_    23     1.22939   123.05955   -27.43961
   24    20 S   CT   _CB2    32     1.53207   112.12475   155.26424
   25    24 S   HC   HB21    33     1.09338   109.50506    57.50817
   26    24 S   HC   HB22    34     1.09525   110.75921   175.48798
   27    22 S   N    _N3_    24     1.38667   112.30371   155.39898
   28    27 S   H    _HN3    25     1.01493   119.67505     0.93419
   29    24 S   S    _SG2    35     1.82588   110.96576   -64.98925
   30    27 S   CT   _CA3    26     1.45443   122.84361   175.38357
   31    30 S   HC   HA31    27     1.09539   108.93464    30.47168
   32    30 S   HC   HA32    28     1.09479   107.16843   147.59514
   33    29 S   CT   _C9_    36     1.85284   100.28654   150.65028
   34    33 S   HC   _H3_    37     1.09952   105.60473    47.49331
   35    30 S   CO3  _C3_    29     1.53061   113.63566   -92.53286
   36    35 S   O2Z  _O31    30     1.26375   115.84217   -30.87202
   37    35 S   O2Z  _O32    31     1.26418   114.67813   150.03681
   38    33 S   CT   _C7_    38     1.55280   111.69263   -68.60829
   39    38 S   HC   _H16    39     1.09887   107.29342    79.82885
   40    38 S   CM   _C4_    40     1.50995   113.37943  -164.18022
   41    40 S   HC   _H14    41     1.08798   117.26744  -169.84753
   42    38 S   CO3  _C6_    52     1.54586   117.12296   -40.49713
   43    42 S   O2Z  _O8_    53     1.26567   114.55697   116.03533
   44    42 S   O2Z  _O9_    54     1.26324   115.99528   -63.71324
   45    40 S   CM   _C5_    42     1.33878   124.02001     9.14970
   46    45 S   HC   _H15    43     1.08670   118.66120  -177.94329
   47    45 S   CT   _C8_    44     1.49998   123.29944     0.39167
   48    47 S   HC   _H17    45     1.09799   106.71257  -103.41003
   49    33 S   CT   _C10    46     1.55747   112.09880   163.20688
   50    49 S   Cl   CL13    47     1.80972   110.65844   -59.84737
   51    47 S   OH   _O10    50     1.42819   109.11690   141.11005
   52    51 S   HO   _H19    51     0.97210   107.88494    58.09161
   53    49 S   OH   _O33    48     1.42675   111.78953    58.43435
   54    53 S   HO   _H20    49     0.97429   108.52089    51.06142
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  12   7  10   4   4   1   1   8   4   7   5
   5   3   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    49    50    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    49    50    53    54    51    42    43    44  
   38    39    40    47    49    50    53    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    49    50    53    42    43    44  
   40    41    45    49    42    43    44  
   41    45    46    47    48    49    51    42    43    44  
   45    46    47    42  
   43    44    45    49  
   44  
    0  
   46    47    48    49    50    53    51    52  
   47    48    49    51  
   48    49    50    53    54    51    52  
   49    50    53    51    52  
   50    53    54    51    52  
   53    54    51  
   52    53  
    0  
   54  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.465000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   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   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    42   317.000  1.522
   40    41   340.000  1.080
   40    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   268.000  1.529
   47    51   320.000  1.410
   49    50   245.000  1.781
   49    53   320.000  1.410
   53    54   553.000  0.945
   51    52   553.000  0.945
   42    43   656.000  1.250
   42    44   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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    42    70.00000  109.69300
   33    49    47    58.35000  112.70000
   33    49    50    69.00000  109.80000
   33    49    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    35.00000  117.00000
   38    40    45    70.00000  124.00000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    45    46    35.00000  120.00000
   40    45    47    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    47    48    35.00000  109.50000
   45    47    49    70.00000  112.02700
   45    47    51    90.00000  110.39200
   47    45    46    35.00000  117.00000
   47    49    50    69.00000  109.80000
   47    49    53    50.00000  109.50000
   47    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    53    54    55.00000  108.50000
   53    49    50    95.00000  108.90000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    65.00000  111.94000
   44    42    43    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    53   0.56750  1.0 1.0
   29    33    49    53  -0.07550 -1.0 2.0
   29    33    49    53   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    45   0.09850  1.0 1.0
   33    38    40    45   0.15250 -1.0 2.0
   33    38    40    45  -0.50650  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   33    49    53    54  -0.11600  1.0 1.0
   33    49    53    54  -0.09450 -1.0 2.0
   33    49    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    49    47   0.15000  1.0 3.0
   34    33    49    50   0.27000  1.0 3.0
   34    33    49    53   0.23400  1.0 3.0
   38    33    49    47   0.56750  1.0 1.0
   38    33    49    47  -0.07550 -1.0 2.0
   38    33    49    47   0.20000  1.0 3.0
   38    33    49    50   0.35600  1.0 1.0
   38    33    49    50  -0.14650 -1.0 2.0
   38    33    49    50   0.33350  1.0 3.0
   38    33    49    53   0.86500  1.0 1.0
   38    33    49    53  -0.17500 -1.0 2.0
   38    33    49    53   0.20800  1.0 3.0
   38    40    45    46   7.00000 -1.0 2.0
   38    40   -45    47   7.00000 -1.0 2.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    44   0.30150 -1.0 2.0
   40    45    47    48   0.00000  1.0 1.0
   40    45    47    49   0.09850  1.0 1.0
   40    45    47    49   0.15250 -1.0 2.0
   40    45    47    49  -0.50650  1.0 3.0
   40    45    47    51   0.67800  1.0 1.0
   40    45    47    51   0.47050 -1.0 2.0
   40    45    47    51  -0.62500  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    47   7.00000 -1.0 2.0
   45    47   -49    33   0.34400  1.0 1.0
   45    47   -49    33   0.09450 -1.0 2.0
   45    47   -49    33   0.11100  1.0 3.0
   45    47    49    50   0.56750  1.0 1.0
   45    47    49    50  -0.07550 -1.0 2.0
   45    47    49    50   0.20000  1.0 3.0
   45    47    49    53   1.05650  1.0 1.0
   45    47    49    53   0.15600 -1.0 2.0
   45    47    49    53   0.53150  1.0 3.0
   45    47    51    52  -0.07800  1.0 1.0
   45    47    51    52  -0.21500 -1.0 2.0
   45    47    51    52  -0.03150  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    51   0.00000  1.0 1.0
   47    49    53    54  -0.11600  1.0 1.0
   47    49    53    54  -0.09450 -1.0 2.0
   47    49    53    54   0.21250  1.0 3.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    50   0.27000  1.0 3.0
   48    47    49    53   0.23400  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    42  -1.63150  1.0 1.0
   49    33    38    42  -0.43550 -1.0 2.0
   49    33    38    42   0.24500  1.0 3.0
   49    47    51    52  -0.11600  1.0 1.0
   49    47    51    52  -0.09450 -1.0 2.0
   49    47    51    52   0.21250  1.0 3.0
   50    49    53    54   0.35600  1.0 1.0
   50    49    53    54  -0.10750 -1.0 2.0
   50    49    53    54  -0.54400  1.0 3.0
   51    47    49    33   0.86500  1.0 1.0
   51    47    49    33  -0.17500 -1.0 2.0
   51    47    49    33   0.20800  1.0 3.0
   51    47    49    50   0.56750  1.0 1.0
   51    47    49    50  -0.07550 -1.0 2.0
   51    47    49    50   0.20000  1.0 3.0
   51    47    49    53   3.75450  1.0 1.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45  -0.51250  1.0 1.0
   42    38    40    45  -0.88800 -1.0 2.0
   42    38    40    45   0.08850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    41    40    45   1.10000 -1.0 2.0
   47    46    45    40   1.10000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
