REMARK  Name = BDB001521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.469  -5.348  -0.169  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.372  -3.853  -0.179  0.00  0.00    +0.045 A 
ATOM      3  N   LIG    1        0.753  -3.301   0.313  0.00  0.00    -0.219 NA
ATOM      4  C   LIG    1        0.841  -1.962   0.312  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1       -0.132  -1.164  -0.143  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1       -1.248  -1.721  -0.636  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -1.408  -3.091  -0.672  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1        2.021  -1.450   0.843  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        2.604  -2.217   1.144  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1        2.582  -0.170   0.893  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1        2.016   0.955   0.280  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.604   2.220   0.390  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        3.768   2.371   1.132  0.00  0.00    +0.117 A 
ATOM     14  C   LIG    1        4.346   1.281   1.764  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        3.753   0.021   1.647  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  O   LIG    1        4.376   3.584   1.265  0.00  0.00    -0.507 OA
ATOM     17  H   LIG    1        3.872   4.236   0.752  0.00  0.00    +0.292 HD
ENDBRANCH  13  16
ENDBRANCH   8  10
ENDBRANCH   4   8
BRANCH   6  18
ATOM     18  N   LIG    1       -2.312  -0.920  -1.121  0.00  0.00    -0.299 N 
ATOM     19  H   LIG    1       -2.582  -1.236  -2.046  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.494   0.473  -0.968  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -2.022   1.179   0.147  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.270   2.548   0.298  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -3.019   3.215  -0.663  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1       -3.527   2.535  -1.760  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -3.276   1.168  -1.905  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -3.288   4.547  -0.556  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1       -2.895   4.874   0.270  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6