REMARK  Name = BDB048385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.283  -0.062   0.038  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        3.095  -0.043  -0.691  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        1.777   0.155  -0.047  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        0.673  -0.210  -0.972  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        0.871  -0.538  -2.293  0.00  0.00    +0.044 A 
ATOM      6  N   LIG    1       -0.349  -0.809  -2.813  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1       -0.593  -1.096  -3.755  0.00  0.00    +0.189 HD
ATOM      8  N   LIG    1       -1.337  -0.660  -1.918  0.00  0.00    -0.158 NA
ATOM      9  C   LIG    1        2.180  -0.595  -2.976  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -0.734  -0.296  -0.779  0.00  0.00    +0.150 A 
ATOM     11  C   LIG    1        3.191   0.223  -2.145  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        5.386   0.016  -0.503  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        5.506  -0.204   2.248  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1        4.156  -0.201   1.548  0.00  0.00    +0.092 C 
ENDBRANCH   1  14
BRANCH  10  15
ATOM     15  N   LIG    1       -1.312  -0.025   0.418  0.00  0.00    -0.298 N 
ATOM     16  H   LIG    1       -0.703   0.236   1.181  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -2.662  -0.051   0.842  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -3.734  -0.402   0.014  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1       -5.058  -0.415   0.486  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -6.184  -0.766  -0.442  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.317  -0.045   1.808  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.266   0.308   2.650  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -2.954   0.302   2.171  0.00  0.00    +0.023 A 
ENDBRANCH  15  17
ENDBRANCH  10  15
TORSDOF 3