REMARK  Name = BDB008901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.310   1.729  -1.287  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1       -5.394   1.778   2.417  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -4.503   1.715   1.577  0.00  0.00    +0.268 A 
ATOM      4  C   LIG    1       -4.324   0.520   0.714  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -5.318  -0.593   0.896  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1       -5.290  -1.609  -0.247  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -3.858  -1.962  -0.627  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -3.074  -0.718  -1.057  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -3.320   0.478  -0.180  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -2.447   1.691  -0.270  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1       -2.600   2.748   0.473  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1       -3.613   2.735   1.379  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1       -3.721   3.562   1.955  0.00  0.00    +0.192 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.052   1.029  -0.825  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        0.618   0.147  -1.683  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        1.791  -0.491  -1.274  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        2.327  -0.253  -0.001  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        1.672   0.648   0.847  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        0.498   1.286   0.438  0.00  0.00    +0.004 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.599  -0.940   0.433  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.748  -0.448  -0.328  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        4.776   0.568  -0.249  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1        6.007  -1.057   0.105  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        6.803  -0.434   1.218  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        7.298  -0.350  -0.197  0.00  0.00    +0.020 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  14
TORSDOF 5