REMARK  Name = BDB016325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.501  -0.128   2.510  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.336   1.091   1.604  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.290   0.864   0.629  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.556   1.587   0.632  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.404   0.243  -0.612  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.561  -0.387  -1.116  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.489  -1.149  -2.304  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.310  -1.267  -3.034  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.166  -0.637  -2.577  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.856  -0.332  -0.565  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.557  -0.945  -0.963  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.408   0.495   0.358  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.600   0.349   0.641  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.207   0.086  -1.373  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.606   1.599   0.966  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.064   0.713  -0.904  0.00  0.00    +0.251 C 
ATOM     17  N   LIG    1        1.138  -0.152  -0.886  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        0.979  -1.129  -1.074  0.00  0.00    +0.157 HD
ATOM     19  O   LIG    1        0.026   1.888  -0.555  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.430   0.185  -0.529  0.00  0.00    +0.155 A 
ATOM     21  C   LIG    1        3.501  -0.756  -0.442  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        4.614  -0.007  -0.067  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1        5.882  -0.576   0.121  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        6.006  -1.954  -0.079  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.909  -2.729  -0.451  0.00  0.00    +0.001 A 
ATOM     26  N   LIG    1        4.150   1.278   0.045  0.00  0.00    -0.265 N 
ATOM     27  C   LIG    1        4.918   2.444   0.411  0.00  0.00    +0.173 C 
ATOM     28  C   LIG    1        3.650  -2.145  -0.636  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1        2.848   1.417  -0.243  0.00  0.00    -0.155 NA
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2