REMARK  Name = BDB005570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.419   1.663  -2.055  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.288   0.663  -1.414  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -4.001   0.118  -0.138  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.602  -0.178   0.291  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -2.349  -0.457   1.642  0.00  0.00    +0.051 A 
ATOM      6  N   LIG    1       -3.413  -0.583   2.534  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1       -3.250  -0.838   3.498  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.720  -0.544   2.148  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1       -5.623  -0.774   2.948  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.053  -0.686   2.112  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.020  -0.699   1.221  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -0.209  -0.517  -0.139  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -1.514  -0.270  -0.590  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -4.994  -0.171   0.733  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -6.442  -0.105   0.340  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.596  -0.211  -1.174  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -5.693   0.802  -1.856  0.00  0.00    +0.105 C 
ENDROOT
BRANCH  12  18
ATOM     18  O   LIG    1        0.735  -0.540  -1.129  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.063  -0.959  -0.798  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.927   0.244  -0.382  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.257  -0.122   0.146  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        5.117  -0.706  -0.896  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        6.485  -1.103  -0.335  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        7.178   0.077   0.333  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        6.254   0.721   1.357  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        4.897   1.065   0.741  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  12  18
TORSDOF 4