REMARK  Name = BDB012545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.455   1.121  -0.521  0.00  0.00    +0.159 C 
ATOM      2  N   LIG    1        0.885   1.243   0.151  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        1.012   2.484   0.852  0.00  0.00    +0.254 C 
ATOM      4  O   LIG    1        1.942   2.923   1.509  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.216   3.193   0.619  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1       -0.874   4.393   0.902  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.108   4.310   0.270  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1       -2.197   3.093  -0.379  0.00  0.00    -0.351 N 
ATOM      9  C   LIG    1       -3.333   2.625  -1.134  0.00  0.00    +0.148 C 
ATOM     10  C   LIG    1       -1.036   2.432  -0.158  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        1.897   0.282   0.043  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        3.043   0.330   0.749  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.036  -0.634   0.645  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        5.226  -0.483   1.469  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        3.925  -1.738  -0.192  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        4.774  -2.619  -0.298  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        2.670  -1.807  -1.002  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.534  -2.971  -1.931  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        1.743  -0.842  -0.871  0.00  0.00    +0.033 A 
ENDBRANCH   2  11
BRANCH   1  24
ATOM     20  C   LIG    1       -3.800  -3.315   1.288  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -2.918  -2.193   0.827  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -2.208  -1.424   1.754  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.408  -0.360   1.330  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.304  -0.039  -0.033  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -2.040  -0.800  -0.956  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -2.840  -1.864  -0.530  0.00  0.00    +0.004 A 
ENDBRANCH   1  24
TORSDOF 2