REMARK  Name = BDB031532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.775   0.119  -0.888  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.675   0.389   0.576  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -1.508   1.583   1.006  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        0.843   0.674   0.363  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1        0.671  -0.214  -0.896  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.569  -1.086  -1.160  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1       -7.984  -0.500  -0.184  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -7.440  -1.460   0.833  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -8.161  -2.001   1.665  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -6.092  -1.713   0.795  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1       -5.745  -2.359   1.491  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -5.230  -1.134  -0.142  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -5.732  -0.253  -1.097  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1       -4.973   0.349  -2.036  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -3.651   0.057  -2.012  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1       -3.050  -0.816  -1.103  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -3.870  -1.423  -0.144  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -7.159   0.049  -1.095  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1       -9.846   0.747   0.952  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -9.462  -0.228  -0.153  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   4  21
ATOM     21  O   LIG    1        1.709   0.180   1.410  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.065   0.231   1.229  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        3.842  -0.426   2.177  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        5.194  -0.479   2.153  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        5.808   0.171   1.136  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.118   0.865   0.145  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        3.723   0.892   0.197  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.303   0.119   1.120  0.00  0.00    +0.263 C 
ATOM     29  N   LIG    1        7.884  -0.145  -0.111  0.00  0.00    -0.303 N 
ATOM     30  H   LIG    1        7.284  -0.362  -0.897  0.00  0.00    +0.150 HD
ATOM     31  O   LIG    1        7.963   0.303   2.136  0.00  0.00    -0.269 OA
BRANCH  29  32
ATOM     32  C   LIG    1        9.359  -0.190  -0.264  0.00  0.00    +0.124 C 
ATOM     33  C   LIG    1       10.027   1.185  -0.414  0.00  0.00    +0.184 C 
ATOM     34  O   LIG    1       10.152   1.003  -1.851  0.00  0.00    -0.376 OA
ATOM     35  C   LIG    1        9.853  -0.408  -1.701  0.00  0.00    +0.184 C 
ENDBRANCH  29  32
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 7