REMARK  Name = BDB016201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.164  -2.516  -0.310  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.231  -1.013  -0.018  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.877  -0.480  -0.067  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.192  -1.160   0.295  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.614   0.786   0.493  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -2.550   1.842   0.589  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.156   3.071   1.164  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.854   3.301   1.600  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.095   2.304   1.454  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -3.897   1.830   0.170  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.448   2.652   0.387  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.644   0.943  -0.531  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.824   1.233  -0.757  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.272   1.073   0.886  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.058  -0.318  -1.076  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.791   0.033   0.759  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        1.964   0.480   0.177  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        1.951   1.419  -0.201  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        0.540  -1.106   1.139  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.145  -0.258  -0.041  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.340  -1.567   0.403  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        4.546  -2.232   0.151  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.572  -1.591  -0.547  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        5.386  -0.281  -0.991  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.179   0.381  -0.738  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.807  -2.272  -0.804  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        7.810  -2.817  -1.014  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 3