REMARK  Name = BDB000991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.176   0.104   0.133  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.421  -0.486   0.062  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.620  -1.470   0.180  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.369   0.482  -0.148  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.649   1.667  -0.123  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.324   2.889  -0.250  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.719   2.882  -0.382  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.426   1.677  -0.405  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.759   0.447  -0.308  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.312   1.415   0.042  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.103  -0.704   0.391  0.00  0.00    +0.080 C 
ATOM     12  N   LIG    1       -2.285   0.097   0.782  0.00  0.00    -0.288 NA
ATOM     13  C   LIG    1       -2.051   0.650   2.113  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -1.197  -0.407   2.803  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -0.946  -1.466   1.730  0.00  0.00    +0.031 C 
BRANCH  12  16
ATOM     16  C   LIG    1       -3.077   0.944  -0.108  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -4.142   0.111  -0.836  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -2.344   1.835  -1.108  0.00  0.00    +0.024 C 
ENDBRANCH  12  16
BRANCH  11  20
ATOM     19  C   LIG    1       -0.444  -2.807  -1.033  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1       -1.429  -1.669  -0.776  0.00  0.00    +0.027 C 
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   9  21
ATOM     21  C   LIG    1        4.522  -0.816  -0.357  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        5.662  -0.902   0.075  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        3.907  -1.878  -0.966  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        3.235  -1.686  -1.700  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.532  -2.657  -1.145  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4