REMARK  Name = BDB014860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.381  -0.042   0.324  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1        0.153  -0.074   1.309  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.173   0.395   2.455  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.670   0.297   2.435  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.059   0.072   1.207  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.595  -0.110   1.247  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.008   0.009  -0.113  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.655   0.034  -0.549  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.599   0.134  -1.883  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -1.878   0.198  -2.291  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.156   0.340  -3.699  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -2.760   0.102  -1.264  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.239   0.118  -1.310  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -4.779  -0.447   0.022  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.027   0.426   3.478  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.780  -0.052   0.125  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        2.390  -0.010  -1.130  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.787  -0.027  -1.264  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.615  -0.088  -0.139  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        4.014  -0.128   1.123  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.618  -0.112   1.250  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        6.063  -0.102  -0.263  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        6.769  -0.584  -1.345  0.00  0.00    +0.113 A 
ATOM     24  N   LIG    1        8.091  -0.424  -1.048  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        8.896  -0.671  -1.614  0.00  0.00    +0.188 HD
ATOM     26  N   LIG    1        8.306   0.127   0.157  0.00  0.00    -0.182 NA
ATOM     27  C   LIG    1        7.074   0.322   0.633  0.00  0.00    +0.142 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3