REMARK  Name = BDB009037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.083  -1.641  -1.215  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.846  -0.649  -1.559  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.100  -0.978  -2.101  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        2.396  -2.325  -2.339  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.474  -3.317  -2.006  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.242  -2.977  -1.442  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.345  -1.979  -0.177  0.00  0.00    +0.225 C 
ATOM      8  N   LIG    1       -1.302  -1.205  -0.658  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -1.395  -0.203  -0.545  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.385  -3.208  -0.176  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -3.562  -1.170   0.330  0.00  0.00    +0.108 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.148   0.068   1.127  0.00  0.00    -0.035 A 
ATOM     13  C   LIG    1       -3.288   1.387   0.679  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -2.841   2.462   1.454  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.243   2.238   2.691  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.093   0.937   3.157  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.541  -0.136   2.383  0.00  0.00    +0.004 A 
ENDBRANCH  11  12
BRANCH  11  18
ATOM     18  C   LIG    1       -4.638  -1.076  -0.798  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -4.136  -0.497  -2.129  0.00  0.00    +0.008 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -6.609  -1.001   0.856  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -5.962  -0.397  -0.383  0.00  0.00    +0.001 C 
ENDBRANCH  18  21
ENDBRANCH  11  18
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        3.098   0.095  -2.477  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.266   1.179  -1.416  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        4.161   0.933  -0.242  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        4.887  -0.374  -0.085  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1        5.503  -0.566   1.305  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.172   0.711   1.795  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        5.169   1.864   1.859  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        4.278   1.933   0.649  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        3.516   3.192   0.460  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        3.581   4.117   1.264  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        2.737   3.257  -0.663  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        2.214   4.113  -0.814  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        2.602   2.283  -1.600  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7