* LIGAND DATABASE FILE (OPLS2005)
*
001      95    97    173    256     489
    1     0 S   NP   _N1_     1    28.97116    97.47638   -23.14849
    2     1 S   H    _HN1     2     1.02948    66.97128     9.73700
    3     1 S   H    _H1_     3     1.02828    43.78260   164.39257
    4     1 S   H    _H2_     4     1.02789   104.25580   -94.47138
    5     1 S   CT   _CA1     5     1.50070   141.63356   103.95567
    6     5 S   HC   _HA1     6     1.09588   105.20221    99.15899
    7     5 S   CO3  _C1_     7     1.53813   112.69362   -20.98999
    8     7 S   O2Z  _O11     8     1.26366   114.99717   -40.03001
    9     7 S   O2Z  _O12     9     1.26269   114.96857   139.32219
   10     5 S   CT   _CB1    10     1.53129   107.44847  -142.89676
   11    10 S   HC   HB11    11     1.09819   109.35504   -51.17136
   12    10 S   HC   HB12    12     1.09804   110.51575    65.55520
   13    10 S   CT   _CG1    13     1.52852   112.33439  -172.18385
   14    13 S   HC   HG11    14     1.09483   110.34502   -67.58523
   15    13 S   HC   HG12    15     1.09593   109.59617    51.54347
   16    13 S   C    _CD1    16     1.51653   112.73217   172.18074
   17    16 S   O    _OE1    17     1.22703   123.32977     8.62901
   18    16 S   N    _N2_    18     1.38708   111.54533  -171.37233
   19    18 S   H    _HN2    19     1.01594   118.89022     1.37743
   20    18 S   CT1  _CA2    20     1.46124   123.48233   176.52588
   21    20 S   HC   _HA2    21     1.09714   109.26817     8.16034
   22    20 S   C    _C2_    22     1.53715   109.04288  -107.73754
   23    22 S   O    _O2_    23     1.23094   122.05223  -151.51402
   24    20 S   CT   _CB2    32     1.53498   111.63135   130.24558
   25    24 S   HC   HB21    33     1.09364   109.59865    60.45334
   26    24 S   HC   HB22    34     1.09450   109.42933   178.87013
   27    22 S   N    _N3_    24     1.38206   114.06581    35.51005
   28    27 S   H    _HN3    25     1.01536   119.59836    -2.35393
   29    24 S   S    _SG2    35     1.82961   111.54762   -61.60532
   30    27 S   CT   _CA3    26     1.45280   123.41870   178.47620
   31    30 S   HC   HA31    27     1.09530   107.42534   -69.69738
   32    30 S   HC   HA32    28     1.09558   108.15626    46.88117
   33    29 S   CT   _C5_    36     1.86727   102.15310   167.20993
   34    30 S   CO3  _C3_    29     1.52998   113.92426   168.98556
   35    34 S   O2Z  _O31    30     1.26391   116.05513     2.65520
   36    34 S   O2Z  _O32    31     1.26416   114.43111  -177.25035
   37    33 S   CT   _C6_    37     1.55707   105.06432   174.36118
   38    37 S   HC   _H9_    38     1.09679   110.38276   -58.07618
   39    37 S   HC   _H10    39     1.09621   111.19890    60.46559
   40    33 S   CT   _C4_    92     1.54645   108.00447    57.05728
   41    40 S   HC   _H6_    93     1.09487   112.06134   -65.90705
   42    40 S   HC   _H7_    94     1.09513   112.02305   175.66031
   43    40 S   HC   _H8_    95     1.09624   111.62968    55.61609
   44    37 S   S    _S1_    40     1.83368   114.83583  -177.63470
   45    44 S   C4T  _C7_    41     1.82058    96.65613   -57.15678
   46    45 S   HC   _H3_    42     1.09468   114.16815   -80.25362
   47    45 S   C4T  _C8_    43     1.55686   116.43429   144.04724
   48    47 S   HC   _H4_    44     1.09579   113.64485   132.68403
   49    45 S   N4   _N4_    47     1.45441   109.60946    47.61734
   50    47 S   C4   _C9_    45     1.55685    85.04575  -114.13612
   51    50 S   O    _O33    46     1.20871   137.03509  -178.75872
   52    33 S   CT1  _C10    48     1.55454   112.36308   -64.38972
   53    52 S   HC   _H5_    49     1.09731   110.52838    77.86051
   54    47 S   N    _N5_    72     1.47695   116.90251     0.45585
   55    54 S   H    _H22    73     1.01763   119.05970     9.60210
   56    52 S   CO4  _C11    50     1.52714   115.31897   -44.90936
   57    56 S   O    _O34    51     1.22422   125.13053   -75.21846
   58    54 S   C    _C18    74     1.37815   122.77349  -166.66769
   59    58 S   O    _O38    75     1.22029   128.42454    -4.08428
   60    56 S   OS   _O35    52     1.36523   109.67894   104.39659
   61    58 S   CD   _C19    76     1.50670   112.62424   174.53822
   62    60 S   CO   _C12    53     1.43299   115.27904   179.33943
   63    62 S   HC   _H11    54     1.09485   109.41459    57.35928
   64    62 S   HC   _H12    55     1.09697   110.47084   -62.29609
   65    61 S   C5B  _C21    77     1.45319   119.49332   -78.10372
   66    61 S   NI   _N6_    86     1.29782   121.81084   101.32953
   67    62 S   OS   _O36    56     1.43744   111.16081   175.11332
   68    65 S   C5A  _C22    78     1.38161   125.67545  -178.23952
   69    68 S   HA   _H26    79     1.08110   128.85655     0.57539
   70    66 S   OS   _O39    87     1.40188   111.35300    -0.30067
   71    67 S   CO4  _C13    57     1.36532   116.03197    76.17236
   72    71 S   O    _O37    58     1.22503   124.93064    -1.56710
   73    68 S   SA   _S2_    80     1.71165   110.13758  -179.26832
   74    70 S   CT   _C20    88     1.41972   108.17096   179.41083
   75    74 S   HC   _H23    89     1.09316   108.47269  -180.00000
   76    74 S   HC   _H24    90     1.09443   110.33392    60.98168
   77    74 S   HC   _H25    91     1.09443   110.33673   -60.97610
   78    71 S   CT   _C14    59     1.53211   110.66939   178.86633
   79    73 S   CRA  _C23    81     1.72284    89.94664     0.05595
   80    78 S   CT   _C15    60     1.53323   109.35964    64.65557
   81    80 S   HC   _H13    61     1.09563   111.29176   174.88492
   82    80 S   HC   _H14    62     1.09420   111.37774   -65.24043
   83    80 S   HC   _H15    63     1.09601   111.20953    54.37319
   84    78 S   CT   _C16    64     1.53733   109.38818  -176.04839
   85    84 S   HC   _H16    65     1.09580   111.30880   179.67195
   86    84 S   HC   _H17    66     1.09623   111.22398    59.46590
   87    84 S   HC   _H18    67     1.09625   111.27307   -60.17771
   88    78 S   CT   _C17    68     1.53500   109.82410   -56.64219
   89    88 S   HC   _H19    69     1.09571   111.21275  -176.23553
   90    88 S   HC   _H20    70     1.09606   111.03269   -55.92232
   91    88 S   HC   _H21    71     1.09567   111.72808    63.70086
   92    65 S   N5B  _N7_    82     1.38816   119.94596     2.49497
   93    79 S   NE   _N8_    83     1.34633   120.45427   179.79252
   94    93 S   H    _H27    84     1.01419   121.45929   179.75134
   95    93 S   H    _H28    85     1.01398   122.00956     0.18557
  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  13   5   4   3
  16   2   1   1  14   5   4   8   3   2   1   8  12   6  10   6
   8   7   2   5   3   6   3   6   2   7   3   5   9   6   3   2
   8   7   6   5   3   4  14   4   5   3   2   1   1  12   4  11
   4   3   2   7   3   2   1   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    52    53    56    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    49    52    53    56    57    60    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    49    52    53    56    40    41    42    43  
   39    44    45    52    40  
   44    45    52    40  
   41    42    43    44    49    52    53    56  
   42    43    52  
   43    52  
   52  
   45    46    47    48    50    49    52    54  
   46    47    48    50    51    49    52    53    56    54    55    58  
   47    48    50    49    52    54  
   48    50    51    49    52    54    55    58    59    61  
   50    51    49    54    55    58  
   52    53    56    57    60    54    50    51  
   51    52    53    56    54    55    58  
   52    54  
   53    56    57    60    62  
   56    57    60  
   55    58    59    61    65    66  
   58    59    61  
   57    60    62    63    64    67  
   60    62  
   59    61    65    68    92    66    70  
   61    65    66  
   62    63    64    67    71  
   65    68    69    73    79    92    66    70    74  
   63    64    67    71    72    78  
   64    67    71  
   67    71  
   68    69    73    79    92    93    66    70  
   70    74    75    76    77    68    92  
   71    72    78    80    84    88  
   69    73    79    92    93  
   73    79    92  
   74    75    76    77  
   72    78    80    81    82    83    84    85    86    87    88    89    90    91  
   78    80    84    88  
   79    92    93    94    95  
   75    76    77  
   76    77  
   77  
    0  
   80    81    82    83    84    85    86    87    88    89    90    91  
   92    93    94    95  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    88  
   83    84    88  
   84    88  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95  
   94    95  
   95  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.142800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   66   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   67   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   74   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   93   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   94   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   95   0.5000   0.0300   0.360000   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   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   222.000  1.810
   44    45   200.000  1.824
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   305.000  1.456
   47    48   340.000  1.090
   47    50   250.000  1.540
   47    54   337.000  1.449
   50    51   930.000  1.212
   50    49   440.000  1.369
   49    52   337.000  1.449
   52    53   340.000  1.090
   52    56   255.000  1.522
   56    57   570.000  1.229
   56    60   214.000  1.327
   60    62   320.000  1.380
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.380
   67    71   214.000  1.327
   71    72   570.000  1.229
   71    78   317.000  1.522
   78    80   268.000  1.529
   78    84   268.000  1.529
   78    88   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    61   270.000  1.486
   61    65   305.000  1.466
   61    66   500.000  1.261
   65    68   520.000  1.370
   65    92   410.000  1.394
   68    69   367.000  1.080
   68    73   265.000  1.745
   73    79   250.000  1.765
   79    92   488.000  1.335
   79    93   420.000  1.385
   93    94   434.000  1.010
   93    95   434.000  1.010
   66    70   320.000  1.394
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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   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    37    75.00000  111.63000
   29    33    52    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    75.00000  111.63000
   33    52    49    80.00000  109.70000
   33    52    53    37.50000  110.70000
   33    52    56    70.00000  110.61500
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    45    46    45.00000  109.41400
   44    45    47    65.00000  119.05700
   44    45    49    80.00000  108.62000
   45    47    48    37.50000  110.70000
   45    47    50   100.00000   86.36000
   45    47    54    80.00000  110.05700
   45    49    50   100.00000   93.00000
   45    49    52    50.00000  132.70000
   47    45    46    37.50000  110.70000
   47    50    51    60.00000  136.58000
   47    50    49    95.00000   92.72400
   47    54    55    38.00000  118.40000
   47    54    58    50.00000  121.90000
   50    47    48    40.00000  113.37500
   50    49    52    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    47   105.00000   87.49700
   49    50    51    75.00000  131.60000
   49    52    53    35.00000  109.50000
   49    52    56    80.00000  110.29000
   52    33    37    58.35000  112.70000
   52    56    57    75.00000  123.42600
   52    56    60    90.00000  109.72300
   56    52    53    45.00000  110.09800
   56    60    62    95.00000  111.08000
   60    56    57    83.00000  123.40000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    67    92.60000  111.55000
   62    67    71    95.00000  111.08000
   64    62    63    33.00000  109.50000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    71    72    83.00000  123.40000
   67    71    78    81.00000  111.40000
   71    78    80    63.00000  111.10000
   71    78    84    63.00000  111.10000
   71    78    88    63.00000  111.10000
   78    71    72    80.00000  120.40000
   78    80    81    37.50000  110.70000
   78    80    82    37.50000  110.70000
   78    80    83    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    90    37.50000  110.70000
   78    88    91    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    78    80    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    78    80    58.35000  112.70000
   88    78    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   54    47    48    50.00000  112.01000
   54    47    50    75.00000  110.24000
   54    58    59    80.00000  122.90000
   54    58    61    75.00000  109.57000
   58    54    55    35.00000  119.80000
   58    61    65    75.00000  114.44000
   58    61    66    65.00000  123.79500
   61    58    59    80.00000  120.45000
   61    65    68    60.00000  121.09900
   61    65    92    60.00000  126.00000
   61    66    70   100.00000  109.52600
   65    68    69    35.00000  130.70000
   65    68    73    80.00000  111.29200
   65    92    79    70.00000  110.00000
   68    73    79   120.00000   89.04400
   73    68    69    40.00000  122.38200
   73    79    92    80.00000  114.57700
   73    79    93    70.00000  122.29500
   79    93    94    35.00000  113.50000
   79    93    95    35.00000  113.50000
   92    65    68    70.00000  111.00000
   93    79    92    75.00000  125.31200
   95    93    94    35.00000  109.00000
   66    61    65    65.00000  124.33800
   66    70    74   110.00000  106.71400
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.01700  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    49   0.71400  1.0 1.0
   29    33    52    49   0.04300 -1.0 2.0
   29    33    52    49   0.01450  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56  -2.17200  1.0 1.0
   29    33    52    56  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45  -0.25000 -1.0 2.0
   33    37    44    45  -0.01800  1.0 3.0
   33    52    56    57   0.00000  1.0 1.0
   33    52    56    60   0.36750  1.0 3.0
   37    33    52    49   0.42250  1.0 1.0
   37    33    52    49  -0.48100 -1.0 2.0
   37    33    52    49   0.35650  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56  -0.84850  1.0 1.0
   37    33    52    56  -0.22800 -1.0 2.0
   37    33    52    56   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    45    46   0.00000  1.0 1.0
   37    44    45    47   0.25150  1.0 1.0
   37    44    45    47  -1.17200 -1.0 2.0
   37    44    45    47   0.53050  1.0 3.0
   37    44   -45    49   0.01700  1.0 1.0
   37    44   -45    49  -0.23550 -1.0 2.0
   37    44   -45    49   0.21350  1.0 3.0
   38    37    44    45   0.32350  1.0 3.0
   39    37    44    45   0.32350  1.0 3.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    50   0.00000  1.0 1.0
   44    45    47    54   0.00000  1.0 1.0
   44    45   -49    50   0.00000  1.0 1.0
   44    45    49    52   0.00000  1.0 1.0
   45    47    50    51  -0.11250  1.0 1.0
   45    47    50    51   0.11400 -1.0 2.0
   45    47    50    51  -0.28950  1.0 3.0
   45    47   -50    49   3.00000 -1.0 2.0
   45    47    54    55   0.00000  1.0 1.0
   45    47    54    58  -0.43950  1.0 1.0
   45    47    54    58  -0.08100 -1.0 2.0
   45    47    54    58   0.03350  1.0 3.0
   45    49   -52    33   0.00000  1.0 1.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    56   0.00000  1.0 1.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45   -49    50   0.00000  1.0 1.0
   46    45    49    52   0.00000  1.0 1.0
   47    45   -49    50   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    50   -49    45   3.00000 -1.0 2.0
   47    50   -49    52   3.00000 -1.0 2.0
   47    54    58    59   3.04450 -1.0 2.0
   47    54    58    61   1.49850  1.0 1.0
   47    54    58    61   1.53950 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    49   0.00000  1.0 1.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    58   0.00000  1.0 1.0
   50    47    54    55   0.00000  1.0 1.0
   50    47    54    58  -0.42300  1.0 1.0
   50    47    54    58  -0.07000 -1.0 2.0
   50    47    54    58   0.04150  1.0 3.0
   50    49    52    33   0.00000  1.0 1.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    56   0.00000  1.0 1.0
   51    50   -49    45   3.00000 -1.0 2.0
   51    50    49    52   3.00000 -1.0 2.0
   49    45   -47    48   0.15000  1.0 3.0
   49    45   -47    50   3.00000 -1.0 2.0
   49    45    47    54   2.20050  1.0 1.0
   49    45    47    54   0.63450 -1.0 2.0
   49    45    47    54  -0.91300  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    60   0.40000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44   0.44750  1.0 1.0
   52    33   -37    44  -0.17800 -1.0 2.0
   52    33   -37    44   0.20200  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   52    56    60    62   1.63150  1.0 1.0
   52    56    60    62   2.92000 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   56    60    62    63   0.08050  1.0 3.0
   56    60    62    64   0.08050  1.0 3.0
   56    60    62    67  -1.83450  1.0 1.0
   56    60    62    67  -0.02700 -1.0 2.0
   56    60    62    67  -0.20100  1.0 3.0
   57    56    60    62   3.00000 -1.0 2.0
   60    62    67    71  -1.83450  1.0 1.0
   60    62    67    71  -0.02700 -1.0 2.0
   60    62    67    71  -0.20100  1.0 3.0
   62    67    71    72   3.00000 -1.0 2.0
   62    67    71    78   1.63150  1.0 1.0
   62    67    71    78   2.92000 -1.0 2.0
   63    62    67    71   0.08050  1.0 3.0
   64    62    67    71   0.08050  1.0 3.0
   67    71    78    80   0.36750  1.0 3.0
   67    71    78    84   0.36750  1.0 3.0
   67    71    78    88   0.36750  1.0 3.0
   71    78    80    81  -0.11250  1.0 3.0
   71    78    80    82  -0.11250  1.0 3.0
   71    78    80    83  -0.11250  1.0 3.0
   71    78    84    85  -0.11250  1.0 3.0
   71    78    84    86  -0.11250  1.0 3.0
   71    78    84    87  -0.11250  1.0 3.0
   71    78    88    89  -0.11250  1.0 3.0
   71    78    88    90  -0.11250  1.0 3.0
   71    78    88    91  -0.11250  1.0 3.0
   72    71    78    80   0.30150 -1.0 2.0
   72    71    78    84   0.30150 -1.0 2.0
   72    71    78    88   0.30150 -1.0 2.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   80    78    88    89   0.15000  1.0 3.0
   80    78    88    90   0.15000  1.0 3.0
   80    78    88    91   0.15000  1.0 3.0
   84    78    80    81   0.15000  1.0 3.0
   84    78    80    82   0.15000  1.0 3.0
   84    78    80    83   0.15000  1.0 3.0
   84    78    88    89   0.15000  1.0 3.0
   84    78    88    90   0.15000  1.0 3.0
   84    78    88    91   0.15000  1.0 3.0
   88    78    80    81   0.15000  1.0 3.0
   88    78    80    82   0.15000  1.0 3.0
   88    78    80    83   0.15000  1.0 3.0
   88    78    84    85   0.15000  1.0 3.0
   88    78    84    86   0.15000  1.0 3.0
   88    78    84    87   0.15000  1.0 3.0
   54    47    50    51   0.30150 -1.0 2.0
   54    47   -50    49   0.00000  1.0 1.0
   54    58    61    65   1.50000 -1.0 2.0
   54    58    61    66   1.50000 -1.0 2.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    61   2.56700 -1.0 2.0
   58    61    65    68   0.30050 -1.0 2.0
   58    61    65    68   0.16600  1.0 3.0
   58    61    65    92   0.30050 -1.0 2.0
   58    61    65    92   0.16600  1.0 3.0
   58    61    66    70   6.00000 -1.0 2.0
   59    58    61    65   1.00000 -1.0 2.0
   59    58    61    66   1.00000 -1.0 2.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65    68    73   3.62500 -1.0 2.0
   61    65    92    79   3.62500 -1.0 2.0
   61    66    70    74   1.50000 -1.0 2.0
   65    61    66    70   6.00000 -1.0 2.0
   65    68   -73    79   3.62500 -1.0 2.0
   68    65   -92    79   2.40000 -1.0 2.0
   68    73   -79    92   3.62500 -1.0 2.0
   68    73    79    93   3.62500 -1.0 2.0
   69    68    73    79   3.62500 -1.0 2.0
   73    79   -92    65   3.62500 -1.0 2.0
   73    79    93    94   0.47600 -1.0 2.0
   73    79    93    95   0.47600 -1.0 2.0
   92    65    68    69   3.62500 -1.0 2.0
   92    65   -68    73   3.62500 -1.0 2.0
   92    79    93    94   1.75000 -1.0 2.0
   92    79    93    95   1.75000 -1.0 2.0
   93    79    92    65   3.62500 -1.0 2.0
   66    61    65    68   1.02250 -1.0 2.0
   66    61    65    92   1.02250 -1.0 2.0
   66    70    74    75   0.37500  1.0 3.0
   66    70    74    76   0.37500  1.0 3.0
   66    70    74    77   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.44750  1.0 1.0
   40    33    37    44  -0.17800 -1.0 2.0
   40    33    37    44   0.20200  1.0 3.0
   40    33    52    49   0.42250  1.0 1.0
   40    33    52    49  -0.48100 -1.0 2.0
   40    33    52    49   0.35650  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    56  -0.84850  1.0 1.0
   40    33    52    56  -0.22800 -1.0 2.0
   40    33    52    56   0.29250  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
   47    49    50    51  10.50000 -1.0 2.0
   52    50    49    45   1.00000 -1.0 2.0
   52    60    56    57  10.50000 -1.0 2.0
   67    78    71    72  10.50000 -1.0 2.0
   55    58    54    47   1.00000 -1.0 2.0
   54    61    58    59  10.50000 -1.0 2.0
   58    65    61    66  10.50000 -1.0 2.0
   68    92    65    61   4.00000 -1.0 2.0
   73    69    68    65   1.10000 -1.0 2.0
   92    93    79    73   4.00000 -1.0 2.0
   95    79    93    94   1.00000 -1.0 2.0
END
