REMARK  Name = BDB012869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.753  -0.820  -1.743  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.664  -1.895  -1.715  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.526  -1.198  -1.239  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        1.672  -1.915  -0.943  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.685  -3.138  -1.088  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.363   0.242  -1.373  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.951   0.424  -2.128  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.855  -1.235  -0.472  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        4.052  -1.904  -0.424  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        4.214  -2.870  -0.694  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        5.083  -1.173   0.025  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        4.534   0.010   0.319  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        3.145   0.017   0.034  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        5.358   1.133   0.882  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        5.960   0.770   2.242  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        6.452   1.579  -0.090  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -3.563   0.048  -0.292  0.00  0.00    +0.214 C 
ATOM     18  N   LIG    1       -2.390  -0.661  -0.439  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.863  -0.917   0.388  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -4.159   0.554  -1.235  0.00  0.00    -0.276 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -4.007   0.157   1.157  0.00  0.00    +0.098 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -6.498  -0.222   0.895  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1       -5.408   0.763   1.327  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -5.630   1.171   2.784  0.00  0.00    +0.008 C 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 5