REMARK  Name = BDB008000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.688  -0.359  -0.132  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.802  -1.378  -0.076  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.158   2.566   0.677  0.00  0.00    +0.150 C 
ATOM      4  N   LIG    1       -2.340   1.413   0.388  0.00  0.00    -0.333 N 
ATOM      5  C   LIG    1       -2.832   0.152   0.174  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -1.746  -0.690  -0.056  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -2.025  -2.049  -0.291  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.360  -2.451  -0.279  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.346  -1.504  -0.038  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -0.572   0.119   0.012  0.00  0.00    +0.059 A 
ATOM     11  N   LIG    1       -4.138  -0.188   0.194  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -0.968   1.403   0.311  0.00  0.00    +0.111 A 
ENDBRANCH   1  10
BRANCH   1  13
ATOM     13  C   LIG    1        1.931   0.273  -0.371  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        3.153  -0.370  -0.086  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1        4.372   0.297  -0.269  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        4.346   1.596  -0.735  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        3.210   2.251  -1.033  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        2.044   1.579  -0.845  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1        3.156  -1.778   0.386  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        2.200  -2.534   0.369  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        4.351  -2.178   0.856  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        4.203  -3.104   1.141  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH   1  13
TORSDOF 4