REMARK  Name = BDB029368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.369  -0.163  -0.510  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.617  -0.243   0.488  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.935  -0.107   0.109  0.00  0.00    +0.038 A 
ATOM      4  N   LIG    1       -3.058  -0.150   0.919  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -3.060  -0.290   1.919  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -4.221   0.026   0.179  0.00  0.00    +0.222 C 
ATOM      7  C   LIG    1       -3.812   0.205  -1.288  0.00  0.00    +0.133 C 
ATOM      8  O   LIG    1       -5.356   0.036   0.625  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.318   0.102  -1.213  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.373   0.183  -2.215  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.026   0.049  -1.856  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        2.494   0.665   0.580  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        1.795  -0.305  -0.166  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        2.489  -1.446  -0.600  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        3.818  -1.607  -0.248  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        4.500  -0.729   0.510  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        3.816   0.365   0.922  0.00  0.00    +0.134 A 
BRANCH  12  18
ATOM     18  N   LIG    1        1.852   1.783   1.147  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1        1.039   2.087   0.617  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1        2.479   2.554   1.358  0.00  0.00    +0.142 HD
ENDBRANCH  12  18
ENDBRANCH   1  13
TORSDOF 2