REMARK  Name = BDB002850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.250   1.390   1.443  0.00  0.00    +0.198 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.275   1.501   1.275  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -1.779   0.466   0.505  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -1.068  -0.180   0.168  0.00  0.00    +0.155 HD
ATOM      5  O   LIG    1       -1.911   2.399   1.817  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -3.112   0.214   0.140  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -4.188   1.018   0.519  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -5.493   0.716   0.102  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1       -6.642   1.575   0.540  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -5.717  -0.424  -0.680  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.654  -1.250  -1.057  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1       -4.894  -2.448  -1.927  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.354  -0.914  -0.655  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  N   LIG    1        0.848   0.731   0.262  0.00  0.00    -0.335 N 
ATOM     15  H   LIG    1        0.588   1.228  -0.593  0.00  0.00    +0.147 HD
BRANCH  14  19
ATOM     16  C   LIG    1        4.965  -0.248   0.111  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        4.204  -0.123  -1.054  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        2.848   0.217  -0.973  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.225   0.469   0.260  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.989   0.298   1.419  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        4.347  -0.042   1.348  0.00  0.00    +0.017 A 
BRANCH  16  22
ATOM     22  C   LIG    1        6.409  -0.609   0.093  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        7.084  -0.735   1.102  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        8.229  -1.118  -1.278  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        6.847  -0.770  -1.181  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 6