REMARK  Name = BDB014645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.741   1.477  -1.142  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.927   0.301  -1.950  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        1.831  -0.018  -1.735  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.362   1.220  -0.110  0.00  0.00    +0.136 C 
BRANCH   4   7
ATOM      5  O   LIG    1       -2.912   1.264   1.078  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -2.798   0.848  -0.070  0.00  0.00    +0.214 C 
ATOM      7  N   LIG    1       -1.611   0.869  -0.766  0.00  0.00    -0.313 N 
ATOM      8  H   LIG    1       -1.524   0.282  -1.591  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1       -3.946   0.283  -0.877  0.00  0.00    +0.103 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.238   0.278  -0.068  0.00  0.00    +0.083 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.389  -0.221  -0.874  0.00  0.00    +0.107 A 
ATOM     12  N   LIG    1       -7.658   0.283  -0.728  0.00  0.00    -0.348 N 
ATOM     13  H   LIG    1       -7.933   1.012  -0.083  0.00  0.00    +0.166 HD
ATOM     14  C   LIG    1       -8.476  -0.384  -1.596  0.00  0.00    +0.104 A 
ATOM     15  C   LIG    1       -7.658  -1.282  -2.238  0.00  0.00    +0.130 A 
ATOM     16  N   LIG    1       -6.370  -1.174  -1.784  0.00  0.00    -0.241 NA
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        2.089   1.917  -0.522  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.043   0.808  -0.281  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        2.665  -0.002   0.900  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        3.721  -0.996   1.337  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        5.058  -0.867   0.926  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        6.015  -1.792   1.360  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.654  -2.826   2.224  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.335  -2.946   2.652  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.443   0.231  -0.029  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        3.373  -2.035   2.214  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.399   1.354  -0.073  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8