REMARK  Name = BDB016187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.072   2.523  -1.263  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.287   1.266  -0.413  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.003   0.597  -0.257  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.404   0.742  -1.067  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.955  -0.729   0.214  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.935  -1.332   1.040  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.771  -2.673   1.451  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.639  -3.411   1.122  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.637  -2.816   0.375  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.119  -0.745   1.534  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.749  -1.352   2.045  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.592   0.526   1.536  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.681   0.740   2.079  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.778  -1.491  -0.070  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.801   1.651   0.956  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.338  -0.940  -0.867  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        1.501  -0.597  -0.282  0.00  0.00    +0.082 C 
BRANCH  16  18
ATOM     18  C   LIG    1        0.180  -0.803  -2.337  0.00  0.00    +0.111 C 
ATOM     19  N   LIG    1        0.587   0.204  -3.038  0.00  0.00    -0.307 NA
ATOM     20  H   LIG    1        1.019   0.908  -2.422  0.00  0.00    +0.186 HD
ENDBRANCH  16  18
BRANCH  17  21
ATOM     21  N   LIG    1        2.658  -0.159  -0.882  0.00  0.00    -0.320 N 
ATOM     22  H   LIG    1        2.679  -0.222  -1.899  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.869   0.239  -0.289  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        4.978   0.471  -1.120  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        6.211   0.867  -0.594  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.357   1.041   0.778  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.270   0.821   1.619  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.037   0.424   1.089  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH  14  16
TORSDOF 4