REMARK  Name = BDB062914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.582   0.701  -2.099  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -3.652   0.419  -1.374  0.00  0.00    +0.194 C 
ATOM      3  C   LIG    1       -2.503  -0.445  -1.712  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.255  -1.103  -2.906  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.086  -1.857  -2.990  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.206  -1.926  -1.896  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.485  -1.235  -0.701  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -1.651  -0.492  -0.594  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -2.227   0.319   0.466  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1       -1.805   0.603   1.754  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -2.596   1.442   2.553  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.797   1.991   2.068  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.233   1.709   0.775  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.435   0.879   0.011  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   7  15
ATOM     15  C   LIG    1        0.473  -1.347   0.409  0.00  0.00    +0.247 C 
ATOM     16  N   LIG    1        1.645  -0.600   0.343  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        1.933   0.399  -0.691  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1        2.866   1.492  -0.181  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        4.185   0.924   0.343  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1        4.048  -0.491   0.906  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1        2.637  -0.777   1.402  0.00  0.00    +0.108 C 
ATOM     22  O   LIG    1        0.190  -2.107   1.331  0.00  0.00    -0.270 OA
ENDBRANCH   7  15
TORSDOF 1