REMARK  Name = BDB018902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.353   2.090   1.399  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.181   1.303   1.097  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.313   1.817   1.101  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.245   0.362   0.098  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.055  -0.328  -0.123  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.111  -0.553   0.972  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -0.793  -1.151   0.557  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.678  -2.423  -0.017  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        0.590  -2.948  -0.293  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.747  -2.210  -0.038  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.658  -0.927   0.506  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1       -1.696  -3.264  -0.362  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.008  -2.753  -0.624  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1        0.385  -0.414   0.804  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.062  -1.334  -1.191  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -5.275   0.159  -0.539  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.867  -0.136   0.775  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        3.348   0.856  -0.121  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.513   1.563   0.253  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        5.008   2.542  -0.599  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        4.391   2.846  -1.814  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.249   2.157  -2.196  0.00  0.00    +0.001 A 
ATOM     23  N   LIG    1        5.171   1.332   1.401  0.00  0.00    -0.255 NA
ATOM     24  C   LIG    1        4.695   0.380   2.227  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        2.731   1.170  -1.358  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        3.567  -0.368   1.964  0.00  0.00    +0.029 A 
ENDBRANCH  11  17
TORSDOF 1