REMARK  Name = BDB011310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.193   0.933   0.026  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1       -1.475  -0.266   0.009  0.00  0.00    -0.337 N 
ATOM      3  C   LIG    1       -0.301  -0.036   0.667  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        0.902  -0.820   1.042  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1        1.669   0.244   1.758  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.958   1.465   1.855  0.00  0.00    +0.253 C 
ATOM      7  O   LIG    1        1.236   2.493   2.449  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.262   1.245   1.126  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -1.436   1.877   0.729  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.920  -0.016   2.386  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.983   0.913   2.400  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1        3.971   2.227   1.663  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        5.170   0.597   3.095  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.334  -0.635   3.721  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.309  -1.566   3.660  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        4.501  -3.101   4.416  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.116  -1.266   3.001  0.00  0.00    +0.043 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.668  -1.389  -0.140  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        2.092  -0.574  -1.205  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.799  -1.115  -2.281  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.093  -2.475  -2.302  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        3.962  -3.143  -3.628  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        2.687  -3.299  -1.255  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        1.979  -2.759  -0.178  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -3.704   2.026  -1.661  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1       -3.506   1.150  -0.583  0.00  0.00    +0.129 A 
ATOM     27  N   LIG    1       -4.505   0.463   0.027  0.00  0.00    -0.250 NA
ATOM     28  C   LIG    1       -5.752   0.649  -0.449  0.00  0.00    +0.112 A 
ATOM     29  C   LIG    1       -6.051   1.485  -1.511  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -5.010   2.180  -2.126  0.00  0.00    +0.049 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -2.824   3.612  -3.209  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -2.604   2.646  -2.191  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.843  -1.548  -0.594  0.00  0.00    +0.082 C 
ATOM     34  C   LIG    1       -2.783  -2.362   0.293  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -2.335  -1.456  -2.038  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 5