REMARK  Name = BDB053873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.377  -0.124  -0.794  0.00  0.00    +0.095 A 
ATOM      2  N   LIG    1        1.333   0.608  -0.552  0.00  0.00    -0.163 NA
ATOM      3  N   LIG    1        0.535   0.772  -1.649  0.00  0.00    -0.196 N 
ATOM      4  C   LIG    1        0.747   0.278  -2.920  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -0.220   0.671  -3.717  0.00  0.00    -0.128 NA
ATOM      6  N   LIG    1       -1.095   1.427  -2.971  0.00  0.00    -0.132 NA
ATOM      7  C   LIG    1        1.896  -0.511  -3.130  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -0.647   1.469  -1.729  0.00  0.00    +0.159 A 
ATOM      9  C   LIG    1        2.730  -0.739  -2.106  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.138  -1.649   2.135  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        4.942  -1.034   1.614  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        4.177  -0.287   2.424  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        3.179   0.111   1.633  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1        3.292  -0.373   0.304  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.460  -1.116   0.337  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -1.275   2.161  -0.573  0.00  0.00    +0.114 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.979   1.217   0.386  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -3.240   0.640   0.118  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1       -3.807  -0.231   1.073  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -5.138  -0.844   0.813  0.00  0.00    +0.256 A 
ATOM     21  N   LIG    1       -5.740  -0.511  -0.379  0.00  0.00    -0.329 N 
ATOM     22  H   LIG    1       -6.642  -0.939  -0.548  0.00  0.00    +0.168 HD
ATOM     23  C   LIG    1       -5.191   0.325  -1.310  0.00  0.00    +0.086 A 
ATOM     24  O   LIG    1       -5.672  -1.605   1.613  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -3.142  -0.535   2.266  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -1.897   0.028   2.523  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.999   0.901  -1.116  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -1.323   0.894   1.593  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 3