REMARK  Name = BDB016003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.248   2.354   0.836  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.441   1.353   0.435  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.892   1.562   0.438  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.434   2.794   0.812  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.519   3.748   1.216  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.814   3.558   1.247  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.628   0.670   0.253  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.247   0.931   0.264  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.704   2.104   0.834  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.608   3.022   1.396  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.984   2.781   1.394  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.489   1.612   0.826  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.074  -3.959  -1.500  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.343  -2.598  -1.109  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.569  -2.084  -1.304  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.459  -0.836  -0.840  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.166  -0.544  -0.343  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.470  -1.721  -0.533  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.850   3.099   0.829  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.728   2.869  -0.210  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.948   3.303   0.216  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.190   3.253  -0.517  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.930   3.806   1.464  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.650   3.693   1.830  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.736   0.513   0.013  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.527   0.454   0.649  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.079  -0.775  -0.184  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.102  -1.819  -0.639  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -3.169  -2.144   0.417  0.00  0.00    +0.036 C 
ATOM     30  C   LIG    1       -3.618  -3.550   0.051  0.00  0.00    +0.115 C 
ATOM     31  C   LIG    1       -2.313  -4.248  -0.306  0.00  0.00    +0.031 C 
ATOM     32  C   LIG    1       -1.450  -3.173  -0.968  0.00  0.00    +0.007 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -4.470  -3.493  -1.086  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -4.711  -4.407  -1.317  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7