REMARK  Name = BDB011166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.076   2.580   0.372  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.768   2.155   0.684  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -2.008   2.894   1.523  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -0.727   2.540   1.740  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.167   1.401   1.209  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.953   0.544   0.462  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1       -0.377  -0.735   0.166  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.026  -0.908   0.165  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        1.510  -2.026  -0.026  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        1.788   0.229   0.462  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        1.253   1.107   1.396  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        1.820   1.651   2.338  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -2.262   0.971   0.088  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -3.058   0.337  -0.899  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -4.341   0.778  -1.208  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.859   1.888  -0.558  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.200   0.285   0.111  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        3.755  -0.584  -0.847  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        5.103  -0.512  -1.230  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        5.943   0.460  -0.692  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        7.392   0.517  -1.069  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.413   1.347   0.241  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.064   1.270   0.620  0.00  0.00    +0.026 A 
ENDBRANCH  10  17
BRANCH   7  24
ATOM     24  C   LIG    1       -1.227  -1.944   0.243  0.00  0.00    +0.092 C 
ATOM     25  C   LIG    1       -0.961  -2.823   1.482  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1       -1.328  -4.225   1.018  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -0.806  -4.267  -0.408  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -1.122  -2.885  -0.973  0.00  0.00    +0.025 C 
ENDBRANCH   7  24
BRANCH   1  30
ATOM     29  C   LIG    1       -5.818   4.184   0.766  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.504   3.716   1.027  0.00  0.00    -0.493 OA
ENDBRANCH   1  30
TORSDOF 3