REMARK  Name = BDB008623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.898   0.321  -0.090  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1        1.488  -0.835  -0.614  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1        0.832  -1.691  -1.220  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -3.976  -0.630   0.760  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -2.951  -0.083  -0.041  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -1.499  -0.338   0.321  0.00  0.00    +0.061 C 
ATOM      7  C   LIG    1       -0.525   0.621  -0.383  0.00  0.00    +0.081 C 
ATOM      8  C   LIG    1       -0.838   0.684  -1.883  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -2.233   1.265  -2.092  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1       -3.285   0.645  -1.203  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1       -4.634   0.852  -1.523  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.641   0.323  -0.720  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.314  -0.417   0.415  0.00  0.00    +0.046 A 
BRANCH   4  15
ATOM     14  C   LIG    1       -4.557  -2.013   2.617  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -3.561  -1.347   1.853  0.00  0.00    -0.495 OA
ENDBRANCH   4  15
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1        3.026  -1.011  -0.549  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1        3.652  -0.769   0.709  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1        5.066  -0.979   0.638  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1        5.709  -0.084  -0.431  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1        5.127  -0.309  -1.766  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1        5.329  -1.268  -2.051  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        3.658  -0.153  -1.670  0.00  0.00    +0.122 C 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.600   1.251   0.773  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1        0.938   1.990   1.917  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        1.904   0.892   2.208  0.00  0.00    +0.024 C 
ENDBRANCH   1  23
TORSDOF 4