REMARK  Name = BDB006874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314   0.323  -0.252  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.065   0.087  -0.188  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.965   0.253  -1.271  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.262  -0.069  -0.852  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -4.313   0.026  -1.768  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -4.059   0.436  -3.078  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.756   0.751  -3.471  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -2.462   1.255  -5.091  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.267  -0.491   0.646  0.00  0.00    +0.014 C 
ATOM     10  C   LIG    1       -3.943  -1.833   1.060  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -5.168  -1.024   1.520  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -4.251   0.206   1.633  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -1.696   0.662  -2.570  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.777  -0.375   1.032  0.00  0.00    +0.125 C 
ATOM     15  O   LIG    1        0.884   0.707  -1.273  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1        1.069   0.063   1.072  0.00  0.00    +0.181 C 
BRANCH  16  23
ATOM     17  C   LIG    1        5.543  -1.341  -0.666  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1        4.801  -0.440   0.319  0.00  0.00    +0.065 C 
ATOM     19  N   LIG    1        5.227   0.956   0.100  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1        6.218   1.049   0.316  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        4.452   1.859   0.964  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1        2.923   1.674   0.826  0.00  0.00    +0.100 C 
ATOM     23  N   LIG    1        2.529   0.279   1.075  0.00  0.00    -0.291 NA
ATOM     24  C   LIG    1        3.264  -0.624   0.173  0.00  0.00    +0.103 C 
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 2