REMARK  Name = BDB002815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.768   0.561   0.424  0.00  0.00    -0.241 N 
ATOM      2  C   LIG    1        0.795   0.607   1.384  0.00  0.00    +0.227 C 
ATOM      3  O   LIG    1        0.727   1.398   2.313  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.182  -0.510   1.149  0.00  0.00    +0.100 C 
ATOM      5  C   LIG    1        0.401  -1.270  -0.079  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.623  -1.292  -1.242  0.00  0.00    +0.062 C 
ATOM      7  C   LIG    1       -0.999   0.159  -1.541  0.00  0.00    -0.035 A 
ATOM      8  C   LIG    1       -1.531   0.852  -0.422  0.00  0.00    -0.035 A 
ATOM      9  C   LIG    1       -1.899   2.186  -0.526  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -1.734   2.829  -1.754  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.209   2.144  -2.860  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -0.838   0.802  -2.760  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -1.862  -1.962  -0.641  0.00  0.00    -0.035 A 
ATOM     14  C   LIG    1       -2.395  -1.266   0.482  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1       -3.518  -1.744   1.141  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.111  -2.921   0.679  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.585  -3.607  -0.428  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.455  -3.129  -1.097  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.614   0.000   0.845  0.00  0.00    +0.062 C 
ATOM     20  C   LIG    1        1.651  -0.509  -0.419  0.00  0.00    +0.227 C 
ATOM     21  O   LIG    1        2.440  -0.836  -1.294  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  22
ATOM     22  C   LIG    1        2.866   1.512   0.357  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.050   1.057   1.201  0.00  0.00    +0.140 C 
BRANCH  23  25
ATOM     24  O   LIG    1        5.152   3.086   0.468  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1        5.174   2.054   1.117  0.00  0.00    +0.306 C 
BRANCH  25  26
ATOM     26  O   LIG    1        6.248   1.687   1.855  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1        6.139   0.840   2.327  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 4