REMARK  Name = BDB036821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.070   0.298   0.132  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.578   1.156   0.334  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.757  -0.895   0.088  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.205  -1.983   0.213  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.143   1.875  -0.091  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.041   1.373   0.112  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.078   2.051   0.815  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.320   3.002   1.060  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -1.737   1.759   0.834  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -0.903   2.603   1.162  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.354   0.328   0.443  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.213  -0.109  -0.740  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.683  -0.016  -0.360  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        2.228  -0.824  -0.082  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        2.862   0.258  -0.678  0.00  0.00    +0.123 A 
ATOM     16  N   LIG    1        4.205   0.349  -0.849  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        4.944  -0.697  -0.419  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.405  -1.829   0.171  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.023  -1.893   0.338  0.00  0.00    +0.016 A 
ENDBRANCH   3  14
TORSDOF 2