REMARK  Name = BDB007892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123  -1.093  -0.820  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -0.873   0.045  -0.603  0.00  0.00    -0.326 N 
ATOM      3  C   LIG    1       -2.175  -0.338  -0.364  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.147  -1.724  -0.473  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -3.326  -2.462  -0.291  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -4.516  -1.779   0.002  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -4.517  -0.381   0.107  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -3.347   0.370  -0.072  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.882  -2.168  -0.754  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.743  -2.525   0.182  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.520  -2.508   1.319  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -6.438  -1.830   2.627  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.590  -3.330   1.142  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.527  -3.912  -0.110  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -6.416  -3.431  -0.681  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -6.041  -3.857  -2.049  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  C   LIG    1        1.352  -1.115  -1.069  0.00  0.00    +0.079 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.103  -1.689   0.136  0.00  0.00    +0.043 C 
BRANCH  18  22
ATOM     19  C   LIG    1        6.360  -1.049  -0.273  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        5.598  -0.209   0.539  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.221  -0.422   0.677  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.591  -1.479   0.007  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        4.359  -2.317  -0.808  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        5.732  -2.100  -0.944  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.399   0.075   0.203  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.705  -0.950  -0.495  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  27
ATOM     27  C   LIG    1       -0.394   1.418  -0.622  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.196   1.836   0.734  0.00  0.00    +0.106 C 
BRANCH  28  29
ATOM     29  N   LIG    1        0.851   3.146   0.797  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1        2.050   3.285  -0.048  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        1.866   4.267  -1.218  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        1.461   5.579  -0.807  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        0.712   5.590   0.416  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -0.067   4.287   0.647  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8