REMARK  Name = BDB015111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.153  -0.491   0.774  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.967   0.085   0.312  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.764  -0.089   1.008  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -1.748  -0.849   2.178  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.928  -1.428   2.647  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -4.123  -1.249   1.949  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -4.914   0.961  -1.743  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -5.688   0.329  -1.035  0.00  0.00    +0.268 C 
ATOM      9  N   LIG    1       -5.395  -0.357   0.129  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1       -6.198  -0.816   0.554  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -7.129   0.244  -1.411  0.00  0.00    +0.144 A 
ATOM     12  N   LIG    1       -7.946  -0.476  -0.583  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1       -9.243  -0.521  -0.968  0.00  0.00    +0.131 A 
ATOM     14  C   LIG    1       -9.708   0.111  -2.112  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1       -8.898   0.821  -2.930  0.00  0.00    -0.259 NA
ATOM     16  C   LIG    1       -7.593   0.875  -2.555  0.00  0.00    +0.143 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  O   LIG    1       -0.684   0.533   0.443  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.581   0.379   1.105  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.619   1.158   0.287  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.236   2.544   0.244  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        0.293   2.546  -0.013  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.034   1.064   0.893  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.544  -0.309   1.067  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.888  -0.962  -0.213  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.188  -0.507  -0.840  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.200   0.084  -0.061  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.409   0.462  -0.660  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.623   0.234  -2.019  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.631  -0.367  -2.790  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.961   0.374   1.400  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.421  -0.739  -2.204  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.723  -0.349   1.952  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8