REMARK  Name = BDB000954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.227   0.247  -0.257  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -2.204  -0.407   0.452  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -2.054  -1.132   1.140  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.422   0.115   0.095  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.107   1.123  -0.809  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -4.135   1.914  -1.346  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -5.455   1.678  -0.941  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -5.750   0.659  -0.033  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.737  -0.160   0.489  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.754   1.176  -1.029  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.010  -0.102   0.008  0.00  0.00    -0.300 NA
ATOM     12  C   LIG    1        2.408  -0.527  -1.275  0.00  0.00    +0.085 C 
ATOM     13  C   LIG    1        0.938  -0.125  -1.453  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1        0.226  -0.081  -0.104  0.00  0.00    +0.057 C 
ATOM     15  C   LIG    1        0.921   0.924   0.825  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1        2.396   1.150   0.465  0.00  0.00    +0.085 C 
BRANCH  11  18
ATOM     17  C   LIG    1        5.135   0.275   1.292  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        4.492  -0.045  -0.068  0.00  0.00    +0.050 C 
ATOM     19  C   LIG    1        5.091  -1.378  -0.554  0.00  0.00    +0.024 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  C   LIG    1       -5.078  -1.247   1.429  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -6.019  -1.162   2.204  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -4.319  -2.385   1.349  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -4.702  -3.164   1.873  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.903  -2.624   0.458  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 3