REMARK  Name = BDB018648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.110  -0.381   0.196  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -4.241   0.501  -0.643  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -2.788   0.133  -0.305  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -2.188  -0.798  -1.361  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -2.863  -1.487  -2.122  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -0.823  -0.934  -1.349  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -0.446  -1.655  -1.952  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        0.044  -0.098  -0.640  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.461   1.044  -0.017  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        0.414   1.891   0.667  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        1.776   1.584   0.733  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.296   0.439   0.105  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        1.407  -0.396  -0.591  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -1.916   1.389  -0.182  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -2.912  -0.620   1.029  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -4.241  -1.348   0.905  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        3.733   0.127   0.171  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        4.696   1.064  -0.239  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        6.061   0.767  -0.179  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        6.485  -0.472   0.294  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.546  -1.415   0.706  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.182  -1.117   0.644  0.00  0.00    +0.008 A 
ENDBRANCH  12  17
BRANCH   1  24
ATOM     23  N   LIG    1       -7.527  -0.788  -0.283  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -6.406  -0.603  -0.065  0.00  0.00    +0.169 C 
ENDBRANCH   1  24
TORSDOF 2