REMARK  Name = BDB014872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.219   5.262  -0.813  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.320   4.456  -0.169  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.006   3.164   0.236  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.609   2.690   0.336  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.554   1.209   0.441  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.546   0.307   0.437  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.113  -0.953   0.560  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.226  -0.868   0.627  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -1.671   0.414   0.581  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.066   0.912   0.625  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.036   2.412   0.984  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.442   4.945  -0.035  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.828   0.739   0.331  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.981   1.735   0.257  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.055   0.038   0.266  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.159  -1.358   0.258  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.405  -2.006   0.194  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        4.474  -3.504   0.216  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.573  -1.241   0.168  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        5.495   0.149   0.180  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.249   0.779   0.228  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -2.006  -2.085   0.747  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.514  -2.575  -0.601  0.00  0.00    +0.051 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.266  -3.887  -0.459  0.00  0.00    +0.157 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.773  -4.265  -1.730  0.00  0.00    -0.395 OA
ATOM     26  H   LIG    1       -4.203  -5.131  -1.626  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6