REMARK  Name = BDB016195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.862  -0.440   2.712  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.929  -0.144   1.210  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.570  -0.106   0.693  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.909   0.276   1.386  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.326   0.491  -0.561  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.252   0.532  -1.629  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.883   1.145  -2.847  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.613   1.676  -3.052  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.671   1.591  -2.041  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.566   0.018  -1.642  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.117   0.201  -2.472  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.278  -0.737  -0.770  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.435  -1.041  -1.081  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.012   0.987  -0.821  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -4.679  -1.247   0.499  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.037   0.933   0.240  0.00  0.00    +0.246 C 
ATOM     17  N   LIG    1        1.300   0.575  -0.176  0.00  0.00    -0.304 N 
ATOM     18  H   LIG    1        1.471   0.339  -1.144  0.00  0.00    +0.150 HD
ATOM     19  O   LIG    1       -0.249   1.181   1.407  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.424   0.518   0.747  0.00  0.00    +0.110 C 
ATOM     21  C   LIG    1        3.497  -0.424   0.254  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        4.847  -0.057   0.310  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1        5.837  -0.916  -0.167  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.495  -2.172  -0.665  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.161  -2.570  -0.685  0.00  0.00    +0.001 A 
ATOM     26  O   LIG    1        5.285   1.145   0.801  0.00  0.00    -0.492 OA
ATOM     27  C   LIG    1        4.337   1.814   1.636  0.00  0.00    +0.231 C 
ATOM     28  C   LIG    1        3.167  -1.705  -0.224  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        2.988   1.924   0.955  0.00  0.00    +0.068 C 
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2