REMARK  Name = BDB001612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.500   0.118   0.691  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1        2.488   0.154  -0.301  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1        3.853   0.345  -0.144  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        4.428   0.375  -1.326  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1        3.469   0.145  -2.279  0.00  0.00    -0.136 NA
ATOM      6  C   LIG    1        2.327  -0.012  -1.654  0.00  0.00    +0.233 A 
ATOM      7  O   LIG    1        1.855   0.185   1.868  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.651   1.677  -1.672  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -1.954   0.737  -0.732  0.00  0.00    -0.049 A 
ATOM     10  C   LIG    1       -0.584   0.873  -0.477  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        0.050   0.003   0.416  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -0.685  -0.970   1.102  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -2.060  -1.095   0.879  0.00  0.00    -0.049 A 
ATOM     14  C   LIG    1       -2.851  -2.158   1.586  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -2.682  -0.248  -0.049  0.00  0.00    +0.006 A 
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  N   LIG    1        4.448   0.483   1.054  0.00  0.00    -0.327 N 
ATOM     17  H   LIG    1        5.391   0.853   1.092  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        3.885   0.618   1.895  0.00  0.00    +0.145 HD
ENDBRANCH   3  16
TORSDOF 2