REMARK  Name = BDB016320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.612  -0.871  -0.438  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.675  -0.377  -0.317  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.824   0.577  -0.622  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.044  -1.929   0.006  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM      5  C   LIG    1       -5.356  -1.391   0.252  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -4.532  -0.423   1.099  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -3.175  -0.269   0.607  0.00  0.00    -0.339 N 
ATOM      8  H   LIG    1       -2.631  -1.132   0.754  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -2.852   0.302  -0.630  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -3.657   1.212  -1.349  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -3.203   1.720  -2.588  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -1.956   1.391  -3.113  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -1.124   0.551  -2.396  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -4.930   1.696  -0.989  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -5.415   2.260  -1.677  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -5.679   1.589   0.134  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.794   2.122   0.137  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -1.554   0.033  -1.163  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1       -5.160   0.923   1.363  0.00  0.00    +0.118 C 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        1.786  -1.016   0.272  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.975  -0.276   0.367  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        4.144  -0.825   0.927  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        4.095  -2.147   1.392  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        2.918  -2.891   1.301  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        1.770  -2.327   0.743  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.379  -0.035   1.020  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.587  -0.490   0.488  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        7.760   0.187   0.539  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        7.739   1.387   1.155  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        6.601   1.938   1.719  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        5.411   1.216   1.647  0.00  0.00    +0.011 A 
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 3