REMARK  Name = BDB049846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.903  -1.762  -0.350  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        4.200  -1.190  -0.146  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        5.084  -2.058  -0.775  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1        6.467  -1.860  -0.799  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        6.962  -0.717  -0.157  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        6.112   0.201   0.479  0.00  0.00    +0.020 A 
ATOM      7  N   LIG    1        4.300  -3.045  -1.301  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        4.599  -3.854  -1.832  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        4.725  -0.040   0.482  0.00  0.00    +0.023 A 
ATOM     10  N   LIG    1        2.988  -2.889  -1.079  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        0.208  -0.243   1.807  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        1.453  -0.718   1.389  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.605  -1.268   0.112  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        0.482  -1.352  -0.726  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -0.769  -0.884  -0.311  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -0.898  -0.322   0.958  0.00  0.00    +0.045 A 
BRANCH  15  17
ATOM     17  O   LIG    1       -1.762  -1.022  -1.241  0.00  0.00    -0.491 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -3.110  -0.732  -0.860  0.00  0.00    +0.244 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.445   0.747  -1.127  0.00  0.00    +0.125 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.810   1.186  -0.811  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -5.823   0.643  -1.719  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -7.232   1.000  -1.250  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -7.532   0.416   0.131  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -6.264   0.122   0.930  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -5.153   1.120   0.612  0.00  0.00    +0.084 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  13
BRANCH   6  26
ATOM     26  C   LIG    1        6.618   1.400   1.149  0.00  0.00    +0.161 A 
ATOM     27  N   LIG    1        7.874   1.933   0.992  0.00  0.00    -0.328 N 
ATOM     28  H   LIG    1        8.605   1.586   0.394  0.00  0.00    +0.168 HD
ATOM     29  C   LIG    1        7.929   3.042   1.778  0.00  0.00    +0.222 A 
ATOM     30  N   LIG    1        6.782   3.200   2.391  0.00  0.00    -0.138 NA
ATOM     31  N   LIG    1        5.957   2.174   1.992  0.00  0.00    -0.130 NA
ENDBRANCH   6  26
TORSDOF 6