REMARK  Name = BDB016383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.789  -0.397  -1.222  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -0.523  -0.664  -0.705  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -0.951   0.115   0.391  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.473   1.015   0.399  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.372   0.247   0.675  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -2.861  -1.041   1.298  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -3.286  -1.994   0.231  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -2.504  -2.240  -0.849  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -2.915  -2.970  -1.419  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.347  -2.619   0.336  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.555   1.407   1.659  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -1.252  -1.742  -1.267  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -0.724  -2.433  -2.377  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.526  -2.129  -2.904  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.282  -1.127  -2.320  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1        3.675   1.317   2.494  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        3.061   1.476   1.136  0.00  0.00    +0.039 A 
ATOM     18  N   LIG    1        3.336   2.614   0.458  0.00  0.00    -0.260 NA
ATOM     19  C   LIG    1        2.783   2.756  -0.765  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        1.957   1.813  -1.352  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        1.670   0.641  -0.648  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1        2.242   0.476   0.620  0.00  0.00    +0.031 A 
ENDBRANCH   1  21
TORSDOF 1