REMARK  Name = BDB047013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.235   0.981  -0.615  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1        1.087   1.266   0.129  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        1.106   1.960   1.142  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.187   0.622  -0.432  0.00  0.00    +0.089 C 
ATOM      5  C   LIG    1       -0.238   0.919  -1.937  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1        1.010   0.423  -2.672  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1        2.144   0.042  -1.725  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        4.294   2.270  -1.090  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1        3.556   1.369  -0.091  0.00  0.00    +0.103 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.330   0.152   0.401  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1        3.930  -0.458   1.604  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        4.591  -1.585   2.095  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.662  -2.124   1.388  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.070  -1.538   0.192  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.408  -0.410  -0.300  0.00  0.00    +0.005 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  C   LIG    1       -1.461   1.144   0.258  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.790   0.474   1.526  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1       -2.472   1.040   2.028  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.315  -0.889   1.368  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.668  -0.975   0.686  0.00  0.00    +0.056 A 
ATOM     21  N   LIG    1       -3.688  -1.345  -0.621  0.00  0.00    -0.259 NA
ATOM     22  C   LIG    1       -4.886  -1.401  -1.241  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -6.085  -1.097  -0.626  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -6.048  -0.712   0.712  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -4.825  -0.647   1.382  0.00  0.00    +0.039 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -7.276  -0.362   1.462  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1       -7.322  -0.016   2.627  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -8.389  -0.462   0.714  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -9.109  -0.205   1.328  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8