REMARK  Name = BDB003875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.839   1.254  -0.108  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.714   0.783   0.064  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.709   1.154  -0.785  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.111   1.938  -1.292  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.479   1.514  -0.297  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.194   2.697  -0.136  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.503   0.368  -0.054  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.082   0.937   0.173  0.00  0.00    +0.121 C 
ATOM      9  N   LIG    1        0.812  -0.124  -0.301  0.00  0.00    -0.329 N 
ATOM     10  C   LIG    1        0.111  -1.055  -1.180  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -1.280  -0.445  -1.343  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -1.920  -0.505   1.145  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.315  -1.120   1.052  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.412  -0.089   1.258  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        2.179  -0.109  -0.144  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        2.843   0.959   0.485  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        4.234   0.978   0.658  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.997  -0.096   0.199  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        4.376  -1.178  -0.424  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.984  -1.175  -0.586  0.00  0.00    +0.025 A 
BRANCH  18  21
ATOM     21  N   LIG    1        6.454  -0.089   0.375  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        6.962   0.889   0.942  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        7.091  -1.062  -0.054  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH   9  15
TORSDOF 2