REMARK  Name = BDB017828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.399   2.354  -0.090  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.008   1.958  -0.491  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.300   2.439  -1.768  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        1.511   2.145  -2.365  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.428   1.365  -1.651  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.139   0.879  -0.357  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.848   3.211  -2.339  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        0.896   1.179   0.221  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -1.671   3.509  -1.075  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.135   0.071   0.335  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.271  -0.430  -0.297  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.904  -1.077   0.643  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.149  -1.858   0.766  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        5.934  -2.569   2.128  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        4.909  -1.714   2.898  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.241  -1.011   1.826  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.112  -0.297   1.676  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -3.579   1.269   0.252  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -2.308   1.243  -0.277  0.00  0.00    -0.304 N 
ATOM     20  H   LIG    1       -2.061   0.550  -0.972  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -4.001   2.160   0.974  0.00  0.00    -0.270 OA
BRANCH  18  25
ATOM     22  C   LIG    1       -4.254  -3.686  -0.031  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -4.731  -2.284  -0.243  0.00  0.00    -0.032 A 
ATOM     24  C   LIG    1       -3.929  -1.186   0.079  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -4.424   0.113  -0.094  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -5.718   0.260  -0.570  0.00  0.00    +0.141 A 
ATOM     27 CL   LIG    1       -6.451   1.778  -0.918  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1       -6.522  -0.785  -0.887  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1       -6.017  -2.025  -0.706  0.00  0.00    +0.115 A 
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 3