REMARK  Name = BDB017834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.110   1.015   2.104  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.065   1.448   1.276  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.044   2.797   0.921  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        0.900   3.396   0.109  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.977   2.621  -0.336  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.108   1.260   0.019  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.293   3.398   1.485  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.128   0.671   0.833  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -1.654   2.378   2.577  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.252   0.505  -0.477  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.109   0.995  -1.460  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.996   0.049  -1.615  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.203  -0.175  -2.431  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.857  -1.371  -1.692  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.721  -2.067  -0.918  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.747  -1.005  -0.796  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.656  -0.756  -0.052  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -3.093  -0.417   1.852  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -2.062   0.295   1.284  0.00  0.00    -0.304 N 
ATOM     20  H   LIG    1       -2.072   0.501   0.292  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -3.234  -0.572   3.057  0.00  0.00    -0.270 OA
BRANCH  18  27
ATOM     22  C   LIG    1       -6.813  -2.783  -1.800  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1       -5.817  -2.169  -0.861  0.00  0.00    +0.040 A 
ATOM     24  N   LIG    1       -6.304  -1.437   0.168  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -5.410  -0.887   1.030  0.00  0.00    +0.142 A 
ATOM     26 CL   LIG    1       -6.173   0.073   2.236  0.00  0.00    -0.061 Cl
ATOM     27  C   LIG    1       -4.037  -1.022   0.897  0.00  0.00    +0.073 A 
ATOM     28  C   LIG    1       -3.553  -1.779  -0.174  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1       -4.453  -2.360  -1.064  0.00  0.00    +0.024 A 
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 3