REMARK  Name = BDB031215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.467   0.985  -0.235  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.898   2.310  -0.247  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.220   3.041  -0.640  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.141   4.437  -0.754  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.062   5.078  -0.446  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.164   4.341  -0.017  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        1.294   2.228  -0.853  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -2.103   2.948   0.102  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.878   0.997  -0.622  0.00  0.00    +0.147 A 
ENDROOT
BRANCH   1  18
ATOM     10  O   LIG    1       -5.934  -3.568   0.213  0.00  0.00    -0.247 OA
ATOM     11  C   LIG    1       -4.884  -2.955   0.276  0.00  0.00    +0.325 A 
ATOM     12  N   LIG    1       -4.611  -1.702  -0.292  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -5.284  -1.173  -0.824  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -3.300  -1.351   0.008  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1       -2.742  -2.383   0.760  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1       -1.446  -2.342   1.209  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -0.697  -1.206   0.873  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -1.260  -0.152   0.105  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -2.592  -0.223  -0.337  0.00  0.00    +0.054 A 
ATOM     20  N   LIG    1       -3.712  -3.364   0.927  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1       -3.621  -4.237   1.421  0.00  0.00    +0.170 HD
ENDBRANCH   1  18
BRANCH   9  22
ATOM     22  C   LIG    1        1.719  -0.186  -0.857  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        2.881  -0.440  -0.085  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        3.602  -1.618  -0.380  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        4.735  -1.915   0.366  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.184  -1.085   1.395  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.488   0.078   1.691  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1        3.238  -2.473  -1.349  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        2.148  -2.182  -2.086  0.00  0.00    +0.112 A 
ATOM     30  C   LIG    1        3.346   0.399   0.959  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        1.366  -1.066  -1.884  0.00  0.00    +0.032 A 
ENDBRANCH   9  22
TORSDOF 2