REMARK  Name = BDB021902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.672  -2.301   1.949  0.00  0.00    +0.010 C 
ATOM      2  C   LIG    1       -0.019  -1.934   0.627  0.00  0.00    +0.020 C 
ATOM      3  C   LIG    1       -0.762  -0.582   0.762  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        0.148   0.627   0.479  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1        1.044   0.453  -0.744  0.00  0.00    +0.086 C 
ATOM      6  N   LIG    1        1.818  -0.790  -0.749  0.00  0.00    -0.298 NA
ATOM      7  C   LIG    1        0.967  -1.963  -0.557  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -2.067  -0.505   0.049  0.00  0.00    -0.285 N 
ATOM      9  C   LIG    1       -3.061   0.298   0.636  0.00  0.00    +0.307 C 
ATOM     10  N   LIG    1       -4.314   0.144   0.082  0.00  0.00    -0.267 N 
ATOM     11  H   LIG    1       -4.494  -0.709  -0.421  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1       -2.812   1.040   1.584  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1       -2.174  -1.041  -1.306  0.00  0.00    +0.134 C 
BRANCH  10  14
ATOM     14  C   LIG    1       -5.426   0.903   0.398  0.00  0.00    +0.072 A 
ATOM     15  C   LIG    1       -5.504   2.048   1.151  0.00  0.00    +0.128 A 
ATOM     16  N   LIG    1       -6.818   2.415   1.162  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1       -7.241   3.211   1.628  0.00  0.00    +0.188 HD
ATOM     18  N   LIG    1       -7.609   1.593   0.450  0.00  0.00    -0.180 NA
ATOM     19  C   LIG    1       -6.758   0.673  -0.014  0.00  0.00    +0.157 A 
ENDBRANCH  10  14
ENDBRANCH   3   8
BRANCH   6  20
ATOM     20  C   LIG    1        2.998  -0.756   0.123  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.110   0.116  -0.425  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        4.660  -0.140  -1.690  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.694   0.653  -2.190  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.193   1.708  -1.429  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.658   1.972  -0.169  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.623   1.180   0.332  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4