REMARK  Name = BDB049255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.958  -0.189   0.175  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.177   0.854   0.747  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.186   0.684   0.750  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.691   1.770   1.403  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.285   2.587   1.729  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.821  -0.431   0.199  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.106  -1.402  -0.299  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.466   2.009   1.314  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.268  -1.257  -0.289  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.250  -0.182   0.012  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.591   0.174   1.186  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.195   0.170   1.234  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.439  -0.196   0.111  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.118  -0.540  -1.070  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        5.515  -0.536  -1.117  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1       -2.195  -0.523   0.200  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -2.443  -1.493  -0.008  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.957   0.302  -0.740  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.416   0.013  -0.716  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1       -4.798  -1.205  -1.199  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1       -6.149  -1.271  -1.083  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1       -6.642  -0.113  -0.530  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -5.522   0.719  -0.289  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4