REMARK  Name = BDB003856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.014  -2.647  -0.496  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.160  -1.786  -0.701  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -1.888  -2.157  -1.064  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -1.821  -3.150  -1.255  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -0.671  -1.675  -0.627  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1        0.303  -2.426  -0.703  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.620  -0.287   0.018  0.00  0.00    +0.105 C 
ATOM      8  C   LIG    1       -1.202   0.820  -0.876  0.00  0.00    +0.018 C 
ATOM      9  C   LIG    1       -2.615   0.576  -1.410  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -3.465  -0.315  -0.518  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        0.782   0.115   0.483  0.00  0.00    -0.035 A 
ATOM     12  C   LIG    1        1.008   0.424   1.835  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        2.277   0.806   2.279  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        3.334   0.884   1.365  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        3.128   0.582   0.014  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        1.856   0.202  -0.420  0.00  0.00    +0.006 A 
BRANCH  14  17
ATOM     17  N   LIG    1        4.668   1.286   1.826  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1        4.813   1.521   3.035  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        5.570   1.373   0.981  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   7  11
TORSDOF 2