* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     95    142     276
    1     0 S   NP   _N1_     1    28.76760    93.85354   -21.11331
    2     1 S   H    _HN1     2     1.02776    89.52846   -74.21039
    3     1 S   H    _H1_     3     1.02963    96.27669    34.18525
    4     1 S   H    _H2_     4     1.02837    26.27699   150.46840
    5     1 S   CT   _CA1     5     1.50124   136.58222   162.94640
    6     5 S   HC   _HA1     6     1.09571   105.24511    53.30324
    7     5 S   CO3  _C1_     7     1.53824   112.35689   -66.92504
    8     7 S   O2Z  _O11     8     1.26358   115.00781   -43.53505
    9     7 S   O2Z  _O12     9     1.26242   114.92055   135.60409
   10     5 S   CT   _CB1    10     1.53091   107.42499   171.24191
   11    10 S   HC   HB11    11     1.09818   109.40783   -50.31235
   12    10 S   HC   HB12    12     1.09825   110.37196    66.25479
   13    10 S   CT   _CG1    13     1.52997   112.66393  -171.44776
   14    13 S   HC   HG11    14     1.09585   110.32235   -61.41697
   15    13 S   HC   HG12    15     1.09632   110.14421    57.76199
   16    13 S   C    _CD1    16     1.51804   112.22401   178.01318
   17    16 S   O    _OE1    17     1.22725   123.23746    -9.96914
   18    16 S   N    _N2_    18     1.38590   111.65702   170.46100
   19    18 S   H    _HN2    19     1.01600   118.97308     1.27656
   20    18 S   CT1  _CA2    20     1.46286   123.48777  -177.29846
   21    20 S   HC   _HA2    21     1.09730   109.35830   -16.42648
   22    20 S   C    _C2_    22     1.53376   108.36080  -132.20423
   23    22 S   O    _O2_    23     1.23004   122.27792  -146.28583
   24    20 S   CT   _CB2    32     1.53424   111.05274   105.69898
   25    24 S   HC   HB21    33     1.09663   109.49965    53.76039
   26    24 S   HC   HB22    34     1.09520   111.04073   172.27440
   27    22 S   N    _N3_    24     1.38520   113.32425    41.18953
   28    27 S   H    _HN3    25     1.01532   118.90733    -0.59347
   29    24 S   S    _SG2    35     1.83099   111.48030   -68.18992
   30    27 S   CT   _CA3    26     1.45446   123.41269   174.98542
   31    30 S   HC   HA31    27     1.09526   109.18410    25.37116
   32    30 S   HC   HA32    28     1.09493   107.13512   142.37860
   33    29 S   CA   _C9_    36     1.79138    99.60308   145.05672
   34    30 S   CO3  _C3_    29     1.52934   113.15474   -98.06035
   35    34 S   O2Z  _O31    30     1.26400   115.43090   -43.61316
   36    34 S   O2Z  _O32    31     1.26358   114.96210   137.31721
   37    33 S   CA   _C8_    37     1.40432   118.51632    67.16422
   38    37 S   HA   _H7_    38     1.08745   119.34308     1.07374
   39    37 S   CA   _C7_    39     1.39954   120.86707  -179.82417
   40    39 S   CA   _C12    40     1.39811   119.32456    -2.35277
   41    40 S   Cl   Cl1_    41     1.72808   121.21253  -178.43427
   42    39 S   OS   _O35    46     1.37016   122.67590  -178.54290
   43    40 S   CA   _C11    42     1.39609   120.40585     2.05233
   44    43 S   HA   _H8_    43     1.08803   119.91839   179.26060
   45    42 S   CT   _C5_    47     1.43678   116.07567   -45.02358
   46    45 S   HC   _H3_    48     1.09812   113.03162    -5.59783
   47    33 S   CA   _C10    44     1.40365   122.45125  -114.01535
   48    47 S   Cl   Cl2_    45     1.73184   122.32752     1.47671
   49    45 S   CO3  _C6_    49     1.54224   106.23953  -121.91521
   50    49 S   O2Z  _O34    50     1.26239   116.64423  -108.40540
   51    49 S   O2Z  _O33    51     1.26626   114.28019    72.05499
   52    45 S   CT   _C4_    52     1.52158   108.23391   115.84451
   53    52 S   HC   _H4_    53     1.09597   111.24361    55.13283
   54    52 S   HC   _H5_    54     1.09451   111.34392   176.29287
   55    52 S   HC   _H6_    55     1.09484   110.73580   -62.99559
  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   7   5   4   3
   9   2   1   1   9   4  10   7   4  10   3   2   8   7   1   1
   6   2   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    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    43    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    43    44    47    48    42  
   35    36  
   36  
    0  
   38    39    40    41    43    47    48    42    45  
   39    40    47    42  
   40    41    43    44    47    42    45    46    49    52  
   41    43    44    47    48    42    45  
   43    44    47    42  
   45    46    49    50    51    52    53    54    55    43  
   44    47    48  
   47    48  
   46    49    50    51    52    53    54    55  
   49    50    51    52    53    54    55  
   48  
    0  
   50    51    52    53    54    55  
   51    52  
   52  
   53    54    55  
   54    55  
   55  
    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  -0.320000   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   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   38   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   39   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   49   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   250.000  1.760
   33    37   469.000  1.400
   33    47   469.000  1.400
   37    38   367.000  1.080
   37    39   469.000  1.400
   39    40   469.000  1.400
   39    42   450.000  1.364
   40    41   300.000  1.725
   40    43   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   300.000  1.725
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    49   317.000  1.522
   45    52   268.000  1.529
   49    50   656.000  1.250
   49    51   656.000  1.250
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
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    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    47    85.00000  119.40000
   33    37    38    35.00000  120.00000
   33    37    39    63.00000  120.00000
   33    47    43    63.00000  120.00000
   33    47    48    75.00000  120.00000
   37    39    40    63.00000  120.00000
   37    39    42    70.00000  120.00000
   39    37    38    35.00000  120.00000
   39    40    41    75.00000  120.00000
   39    40    43    63.00000  120.00000
   39    42    45    75.00000  111.00000
   40    43    44    35.00000  120.00000
   40    43    47    63.00000  120.00000
   43    40    41    75.00000  120.00000
   43    47    48    75.00000  120.00000
   47    33    37    63.00000  120.00000
   47    43    44    35.00000  120.00000
   42    39    40    70.00000  120.00000
   42    45    46    35.00000  109.50000
   42    45    49    85.00000  109.63000
   42    45    52    50.00000  109.50000
   45    49    50    70.00000  117.00000
   45    49    51    70.00000  117.00000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   49    45    46    35.00000  109.50000
   51    49    50    80.00000  126.00000
   52    45    46    37.50000  110.70000
   52    45    49    70.00000  109.69300
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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    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   0.63250 -1.0 2.0
   24    29    33    47   0.63250 -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   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    47    43   3.62500 -1.0 2.0
   29    33    47    48   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    42   3.62500 -1.0 2.0
   37    33    47    43   3.62500 -1.0 2.0
   37    33    47    48   3.62500 -1.0 2.0
   37    39    40    41   3.62500 -1.0 2.0
   37    39   -40    43   3.62500 -1.0 2.0
   37    39    42    45   1.63200 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    42   3.62500 -1.0 2.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    47   3.62500 -1.0 2.0
   39    42    45    46   0.08050  1.0 3.0
   39    42    45    49  -0.25600  1.0 1.0
   39    42    45    49  -0.40050 -1.0 2.0
   39    42    45    49   0.34700  1.0 3.0
   39    42    45    52  -0.32850  1.0 1.0
   39    42    45    52  -0.35800 -1.0 2.0
   39    42    45    52   0.33950  1.0 3.0
   40    39    42    45   1.63200 -1.0 2.0
   40    43   -47    33   3.62500 -1.0 2.0
   40    43    47    48   3.62500 -1.0 2.0
   41    40    43    44   3.62500 -1.0 2.0
   41    40    43    47   3.62500 -1.0 2.0
   44    43    47    33   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   47    33    37    38   3.62500 -1.0 2.0
   47    33   -37    39   3.62500 -1.0 2.0
   42    39    40    41   3.62500 -1.0 2.0
   42    39    40    43   3.62500 -1.0 2.0
   42    45    49    50   0.30150 -1.0 2.0
   42    45    49    51   0.30150 -1.0 2.0
   42    45    52    53   0.23400  1.0 3.0
   42    45    52    54   0.23400  1.0 3.0
   42    45    52    55   0.23400  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    55   0.15000  1.0 3.0
   49    45    52    53  -0.11250  1.0 3.0
   49    45    52    54  -0.11250  1.0 3.0
   49    45    52    55  -0.11250  1.0 3.0
   52    45    49    50   0.41150 -1.0 2.0
   52    45    49    51   0.41150 -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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    33    29   4.00000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   40    42    39    37   4.00000 -1.0 2.0
   43    41    40    39   4.00000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   43    48    47    33   4.00000 -1.0 2.0
   50    45    49    51  10.50000 -1.0 2.0
END
