REMARK  Name = BDB008224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.288  -0.320   1.324  0.00  0.00    +0.159 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.613  -1.266   2.505  0.00  0.00    +0.235 C 
ATOM      3  N   LIG    1        2.927  -1.705   2.667  0.00  0.00    -0.306 N 
ATOM      4  C   LIG    1        3.194  -2.635   3.753  0.00  0.00    +0.131 C 
ATOM      5  C   LIG    1        3.906  -1.690   1.591  0.00  0.00    +0.131 C 
ATOM      6  O   LIG    1        0.720  -1.564   3.310  0.00  0.00    -0.274 OA
ENDBRANCH   1   2
BRANCH   1   8
ATOM      7  C   LIG    1       -0.728  -0.802  -0.051  0.00  0.00    +0.237 C 
ATOM      8  N   LIG    1       -0.159  -0.380   1.128  0.00  0.00    -0.302 N 
ATOM      9  H   LIG    1       -0.705  -0.391   1.982  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1       -0.036  -1.128  -1.021  0.00  0.00    -0.273 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.289  -0.917  -0.088  0.00  0.00    +0.110 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -2.731  -0.465  -1.433  0.00  0.00    -0.301 N 
ATOM     13  H   LIG    1       -3.135  -1.161  -2.043  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1       -2.387   0.744  -1.995  0.00  0.00    +0.216 C 
ATOM     15  O   LIG    1       -1.687   1.584  -1.433  0.00  0.00    -0.276 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.912   0.973  -3.407  0.00  0.00    +0.069 C 
ATOM     17  C   LIG    1       -4.435   0.890  -3.461  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -2.263   0.012  -4.395  0.00  0.00    +0.017 C 
ENDBRANCH  14  16
ENDBRANCH  11  12
BRANCH  11  20
ATOM     19  C   LIG    1       -3.043   1.304   1.122  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1       -3.091  -0.215   1.043  0.00  0.00    +0.032 C 
ENDBRANCH  11  20
BRANCH  11  21
ATOM     21  C   LIG    1       -2.599  -2.450  -0.022  0.00  0.00    +0.032 C 
ATOM     22  C   LIG    1       -2.171  -3.174   1.248  0.00  0.00    +0.006 C 
ENDBRANCH  11  21
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1        1.726   1.108   1.672  0.00  0.00    +0.033 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.359   2.178   0.634  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.828   1.917  -0.797  0.00  0.00    +0.115 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.242   1.578  -0.848  0.00  0.00    -0.356 N 
ATOM     27  H   LIG    1        3.390   0.693  -1.317  0.00  0.00    +0.162 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.252   2.456  -1.036  0.00  0.00    +0.188 C 
ATOM     29  N   LIG    1        5.417   2.113  -1.453  0.00  0.00    -0.269 NA
ATOM     30  H   LIG    1        5.446   1.103  -1.591  0.00  0.00    +0.190 HD
BRANCH  28  31
ATOM     31  N   LIG    1        4.012   3.751  -0.774  0.00  0.00    -0.370 N 
ATOM     32  H   LIG    1        3.552   3.905   0.111  0.00  0.00    +0.159 HD
ATOM     33  H   LIG    1        4.879   4.271  -0.831  0.00  0.00    +0.159 HD
ENDBRANCH  28  31
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 13