REMARK  Name = BDB049260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.008  -0.354   0.152  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.735  -0.800   1.298  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        2.113  -0.623   1.317  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        2.493  -1.106   2.545  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1        1.456  -1.571   3.202  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.884  -0.045   0.268  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.172   0.390  -0.807  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        0.349  -1.380   2.416  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.715   0.231  -0.840  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.276  -0.604  -0.237  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.444  -1.089  -1.253  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.053  -1.011  -1.130  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.464  -0.445   0.011  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -2.299   0.025   1.033  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.689  -0.051   0.909  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.784  -0.700  -0.356  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.184   1.426  -1.461  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.461   0.607  -0.278  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -7.905   0.413  -0.135  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.268   0.014   0.469  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        4.634  -0.658   1.140  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.318   0.481  -0.430  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.692   0.357   0.140  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        7.322   1.242   0.993  0.00  0.00    +0.200 A 
ATOM     25  O   LIG    1        8.562   0.799   1.318  0.00  0.00    -0.471 OA
ATOM     26  C   LIG    1        8.743  -0.380   0.671  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1        7.626  -0.700  -0.063  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   7  28
ATOM     28  C   LIG    1        2.760   1.002  -1.953  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        3.233   1.490  -2.894  0.00  0.00    -0.191 NA
ENDBRANCH   7  28
TORSDOF 7