REMARK  Name = BDB008001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.247  -1.672  -1.449  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1       -2.104  -2.321  -2.635  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -0.868  -2.708  -3.011  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        0.271  -2.458  -2.273  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.124  -1.767  -1.073  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.149  -1.381  -0.646  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -5.249   0.284  -0.250  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -3.926  -0.014  -0.594  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -3.621  -1.285  -1.070  0.00  0.00    +0.090 A 
ATOM     10  N   LIG    1       -4.580  -2.240  -1.202  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -5.848  -1.929  -0.866  0.00  0.00    +0.112 A 
ATOM     12  C   LIG    1       -6.232  -0.692  -0.388  0.00  0.00    +0.035 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -5.548   1.651   0.249  0.00  0.00    +0.339 C 
ATOM     14  O   LIG    1       -4.699   2.520   0.371  0.00  0.00    -0.245 OA
BRANCH  13  16
ATOM     15  C   LIG    1       -7.229   3.070   1.031  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -6.865   1.778   0.541  0.00  0.00    -0.464 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   5  17
ATOM     17  C   LIG    1        1.283  -1.451  -0.197  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        2.507  -1.310  -0.817  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        2.553  -1.242  -1.824  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        1.113  -1.295   1.007  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.690  -0.932  -0.063  0.00  0.00    +0.109 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.732   0.568   0.234  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.992   0.955   0.968  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        6.109   1.433   0.270  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.278   1.770   0.954  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.342   1.629   2.339  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.238   1.151   3.042  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.068   0.814   2.360  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 7