REMARK  Name = BDB012913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.838   1.668  -0.323  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.028   0.961   0.553  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.405   1.227   0.590  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.961   0.217   1.600  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.013  -0.968   1.430  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.338  -0.296   1.222  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.356   2.486  -1.103  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.415   1.100  -0.739  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.301   0.941   0.586  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        4.004   1.184   0.830  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.693   1.196   1.794  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.253   1.400  -0.291  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.165   1.404  -1.327  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.749   2.003  -0.947  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.741   0.959  -1.431  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        7.312  -0.453  -1.281  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.345  -0.139   1.378  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1       -2.582  -0.832   0.672  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.366   0.725   1.720  0.00  0.00    +0.251 C 
ATOM     20  O   LIG    1       -3.182   1.760   2.354  0.00  0.00    -0.272 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.757   0.272   1.276  0.00  0.00    +0.324 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.657  -0.763   0.299  0.00  0.00    -0.483 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.832  -1.266  -0.188  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -5.682  -2.273  -1.146  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1       -6.800  -2.875  -1.726  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -8.079  -2.471  -1.349  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.236  -1.468  -0.395  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.115  -0.865   0.186  0.00  0.00    +0.045 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 6