REMARK  Name = BDB028545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.197   1.335   1.247  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -6.880   1.597  -0.724  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -6.305   0.672   0.318  0.00  0.00    +0.213 C 
ATOM      4  N   LIG    1       -5.871  -0.580  -0.103  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -5.197  -1.424   0.883  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -3.746  -0.989   1.147  0.00  0.00    +0.128 C 
ATOM      7  N   LIG    1       -2.864  -0.877  -0.030  0.00  0.00    -0.284 N 
ATOM      8  C   LIG    1       -1.754  -0.045  -0.072  0.00  0.00    +0.302 C 
ATOM      9  N   LIG    1       -1.354   0.459   1.136  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -1.621  -0.041   1.970  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1       -1.152   0.222  -1.109  0.00  0.00    -0.253 OA
ATOM     12  C   LIG    1       -3.255  -1.536  -1.277  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -4.317  -0.748  -2.044  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -5.725  -0.976  -1.501  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -6.241   1.026   1.496  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1        1.137   0.588   1.052  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.190  -0.487   2.003  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.561  -1.153   1.675  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        2.320   1.565   1.267  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.683   1.115   0.930  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.867   0.885  -0.511  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.260   0.402  -0.866  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        6.086  -0.192   0.105  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        7.358  -0.659  -0.253  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.797  -0.562  -1.573  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.974   0.007  -2.542  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.628  -0.263   1.541  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        5.710   0.485  -2.192  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.111  -0.066   1.687  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5