REMARK  Name = BDB015983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.618   1.931   0.595  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.193   1.054  -0.024  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.499   1.359  -0.157  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.019   2.554   0.343  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.098   3.392   0.949  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.215   3.116   1.082  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.840  -0.113   0.535  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.495   0.268   0.396  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.037   1.554   0.752  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.987   2.455   1.266  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.328   2.093   1.413  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.751   0.816   1.048  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.539  -3.942  -1.109  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.470  -3.129  -0.584  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.288  -3.699  -0.293  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.554  -2.679   0.162  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.259  -1.451   0.156  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.503  -1.786  -0.339  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.422   2.918   0.274  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.902   4.186   0.011  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.264   4.090   0.034  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.215   5.152  -0.186  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.709   2.847   0.290  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.588   2.137   0.446  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.345   0.425  -0.792  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.885   0.916  -1.502  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.706  -0.773  -1.339  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.436  -1.820  -0.259  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1       -0.746  -3.056  -0.814  0.00  0.00    +0.086 C 
ATOM     30  N   LIG    1       -0.964  -4.033   0.250  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1       -0.798  -4.982  -0.079  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -2.351  -3.854   0.679  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -2.696  -2.396   0.389  0.00  0.00    +0.021 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6