REMARK  Name = BDB018526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.933  -5.629   0.189  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.873  -4.639   0.304  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -0.665  -5.000   0.884  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -0.393  -6.114   1.321  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.353  -3.924   0.970  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.116  -2.690   0.486  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -1.179  -2.385  -0.148  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.101  -3.368  -0.195  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.193  -1.709   0.688  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        2.389  -1.750   0.002  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1        3.381  -0.849   0.162  0.00  0.00    -0.222 NA
ATOM     12  C   LIG    1        3.178   0.131   1.055  0.00  0.00    +0.215 A 
ATOM     13  N   LIG    1        2.052   0.266   1.768  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1        1.086  -0.656   1.572  0.00  0.00    +0.124 A 
BRANCH  12  15
ATOM     15  N   LIG    1        4.152   1.088   1.290  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        3.677   1.855   1.748  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        4.926   1.450   0.121  0.00  0.00    +0.108 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.885   2.579   0.398  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        6.447   2.865   1.771  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.479   3.832   1.139  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  21
ATOM     21  C   LIG    1       -1.469  -1.095  -0.702  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -2.600  -0.346  -0.459  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1       -2.505   0.806  -1.210  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1       -1.308   0.858  -1.855  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1       -0.712  -0.302  -1.578  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.429   1.890  -1.348  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1       -4.806   1.801  -1.051  0.00  0.00    +0.095 A 
ATOM     28  C   LIG    1       -5.605   2.956  -1.182  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1       -7.303   2.948  -0.827  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -5.062   4.167  -1.619  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -3.715   4.244  -1.947  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.907   3.116  -1.818  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -5.454   0.566  -0.716  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -5.960  -0.445  -0.452  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH   7  21
TORSDOF 7