REMARK  Name = BDB006658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.468  -0.810   0.471  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -2.072  -0.716   0.478  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.897  -0.312  -0.316  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.230  -0.669   0.621  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.271  -1.221   1.840  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.326  -1.627   2.822  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.680  -1.223   1.678  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -2.785  -1.588   2.352  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -2.886  -2.175   3.663  0.00  0.00    +0.173 C 
ATOM     10  N   LIG    1       -3.909  -1.353   1.625  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.574  -0.515   0.271  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1        1.962  -0.075  -0.947  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.314   0.070  -1.248  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1        4.338  -0.223  -0.366  0.00  0.00    +0.203 A 
ATOM     15  N   LIG    1        5.495   0.007  -0.952  0.00  0.00    -0.126 NA
ATOM     16  N   LIG    1        5.245   0.462  -2.225  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.966  -0.688   0.927  0.00  0.00    +0.166 A 
ATOM     18  C   LIG    1        3.940   0.503  -2.398  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        3.232   0.942  -3.620  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        2.652  -0.822   1.224  0.00  0.00    +0.074 A 
BRANCH  17  21
ATOM     21  O   LIG    1        5.038  -0.949   1.748  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1        4.773  -1.427   3.059  0.00  0.00    +0.277 C 
ENDBRANCH  17  21
ENDBRANCH   4  11
BRANCH   3  23
ATOM     23  C   LIG    1       -1.062   1.169  -0.597  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -0.824   2.155   0.379  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -0.982   3.510   0.080  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.382   3.897  -1.196  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -1.576   5.566  -1.563  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -1.627   2.940  -2.176  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -1.469   1.584  -1.879  0.00  0.00    +0.007 A 
ENDBRANCH   3  23
BRANCH   1  31
ATOM     30  C   LIG    1       -4.410  -1.350  -1.784  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.436  -0.410  -0.590  0.00  0.00    +0.054 C 
ENDBRANCH   1  31
TORSDOF 4