REMARK  Name = BDB051906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.688   0.216   1.010  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1       -0.297   0.737   0.125  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.467  -0.034   0.263  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -2.607   0.282  -0.508  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.560   1.357  -1.404  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.410   2.115  -1.546  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.205  -1.027   1.220  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -2.018  -2.064   1.735  0.00  0.00    +0.229 C 
ATOM      9  O   LIG    1       -1.556  -2.817   2.589  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -3.408  -2.191   1.210  0.00  0.00    +0.113 C 
ATOM     11  C   LIG    1       -0.279   1.815  -0.789  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.104  -0.849   1.652  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        2.085   0.711   1.204  0.00  0.00    +0.269 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.001  -0.004   0.362  0.00  0.00    -0.460 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.379  -0.217  -1.514  0.00  0.00    +0.136 C 
ATOM     16  C   LIG    1        3.483   0.676  -0.709  0.00  0.00    +0.304 C 
ATOM     17  O   LIG    1        3.244   1.841  -0.992  0.00  0.00    -0.251 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 3