REMARK  Name = BDB014890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.705  -0.343  -0.829  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.170  -0.552  -1.701  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.817   0.345  -2.951  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -6.237   0.128  -1.518  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.226  -0.039  -0.579  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.825  -0.300  -0.969  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.903  -0.076   0.174  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.483  -0.088   0.253  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.085   0.156   1.507  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.214   0.349   2.210  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.121   0.667   3.614  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.332   0.193   1.456  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.750   0.303   1.871  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.624  -0.385   0.803  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -7.433   0.117  -1.223  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.701  -0.319  -1.003  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        1.602   0.116  -0.012  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        2.998   0.103  -0.204  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        3.484  -0.352  -1.424  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1        4.902  -0.547  -1.874  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        4.726  -0.708  -3.390  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        3.342  -1.326  -3.605  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        2.602  -0.802  -2.414  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        1.228  -0.796  -2.216  0.00  0.00    +0.027 A 
BRANCH  18  25
ATOM     25  C   LIG    1        3.877   0.545   0.859  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.798   0.112   2.166  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        4.789   0.760   2.842  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        5.108   0.635   4.243  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        5.512   1.593   2.070  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        4.946   1.467   0.866  0.00  0.00    +0.142 A 
ENDBRANCH  18  25
ENDBRANCH   1  16
TORSDOF 3