REMARK  Name = BDB030252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.533  -0.116  -1.411  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.620  -0.448  -0.715  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.897  -0.452  -1.407  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -2.899  -0.808  -0.359  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -3.132   0.089   0.839  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -2.171  -1.080   0.911  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -0.706  -0.892   0.673  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        0.473   0.224  -2.595  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1        3.988  -0.035  -0.319  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1        3.047   0.161  -1.289  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        1.831  -0.175  -0.717  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1        2.045  -0.575   0.594  0.00  0.00    -0.231 NA
ATOM     13  C   LIG    1        3.339  -0.478   0.797  0.00  0.00    +0.200 A 
BRANCH   9  15
ATOM     14  C   LIG    1        6.216  -1.103  -0.288  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1        5.421   0.191  -0.463  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1        5.918   1.283   0.484  0.00  0.00    +0.030 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   5  17
ATOM     17  C   LIG    1       -4.405   0.029   1.591  0.00  0.00    +0.140 C 
ATOM     18  O   LIG    1       -4.422  -0.164   2.799  0.00  0.00    -0.297 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -5.662   0.204   0.824  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -5.827   1.320  -0.180  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -6.561   1.379   1.127  0.00  0.00    +0.012 C 
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4