REMARK  Name = BDB009173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.289  -1.512  -1.877  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.703  -0.260  -2.107  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.560  -0.161  -2.715  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.206  -1.332  -3.134  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.615  -2.580  -2.929  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.628  -2.670  -2.302  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.295  -2.656  -1.401  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.611  -1.657  -1.205  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        2.975  -0.643  -0.344  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.276   0.026  -0.054  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.158  -0.742   0.480  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.807  -1.238   1.857  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1        3.649  -2.606   2.097  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.297  -3.022   3.371  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        3.090  -2.179   4.405  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        3.241  -0.862   4.152  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.590  -0.348   2.912  0.00  0.00    +0.025 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -1.195   1.190  -2.952  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.253   2.051  -1.692  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.271   1.755  -0.635  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.290   0.666  -0.823  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.438   0.728   0.190  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.915   0.996   1.595  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.145   2.316   1.650  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -2.223   2.509   0.477  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -1.222   3.598   0.597  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -1.156   4.312   1.591  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -0.379   3.756  -0.470  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        0.306   4.502  -0.412  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -0.367   2.999  -1.598  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5