REMARK  Name = BDB018672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.781   0.372  -0.159  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -3.841   0.401   1.004  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -2.433   0.168   0.435  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -1.989  -1.284   0.620  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -2.769  -2.216   0.799  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -0.651  -1.540   0.455  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -0.391  -2.519   0.439  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        0.337  -0.553   0.401  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.003   0.772   0.677  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        0.993   1.750   0.649  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.310   1.401   0.335  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.666   0.069   0.059  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        1.654  -0.907   0.104  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -1.410   1.099   1.098  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -2.601   0.464  -1.064  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -4.014  -0.013  -1.365  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        4.051  -0.292  -0.261  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        4.401  -1.063  -1.358  0.00  0.00    +0.122 A 
ATOM     19  N   LIG    1        5.665  -1.416  -1.679  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1        6.620  -0.963  -0.855  0.00  0.00    +0.221 A 
ATOM     21  N   LIG    1        6.422  -0.208   0.235  0.00  0.00    -0.243 NA
ATOM     22  C   LIG    1        5.136   0.106   0.504  0.00  0.00    +0.122 A 
ENDBRANCH  12  17
BRANCH   1  24
ATOM     23  N   LIG    1       -7.246   0.044   0.073  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -6.103   0.191  -0.034  0.00  0.00    +0.169 C 
ENDBRANCH   1  24
TORSDOF 2