REMARK  Name = BDB009266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.258   2.155  -0.371  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.292   1.591  -1.129  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        2.118   0.599  -0.581  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.895   0.186   0.741  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.885   0.771   1.509  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.073   1.764   0.958  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -1.938   3.183  -0.896  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1       -2.374   3.993  -1.322  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -0.571   3.213  -0.996  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -0.032   4.110  -1.638  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.794   2.154  -0.326  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.181   2.153  -0.970  0.00  0.00    +0.054 C 
BRANCH  12  16
ATOM     13  C   LIG    1       -6.733  -0.807   0.880  0.00  0.00    +0.161 A 
ATOM     14  C   LIG    1       -5.968  -1.146  -0.253  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -5.149  -0.179  -0.850  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -5.088   1.125  -0.340  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1       -5.851   1.452   0.783  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -6.669   0.494   1.388  0.00  0.00    +0.049 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -8.338  -1.485   2.514  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -7.504  -1.810   1.413  0.00  0.00    -0.491 OA
ENDBRANCH  13  20
BRANCH  14  21
ATOM     21  O   LIG    1       -6.080  -2.443  -0.690  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1       -5.470  -2.770  -1.931  0.00  0.00    +0.277 C 
ENDBRANCH  14  21
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        3.239  -0.001  -1.403  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.620   0.370  -0.863  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.501  -0.690  -0.278  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        5.119  -2.142  -0.346  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1        6.261  -3.094   0.029  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        7.029  -2.588   1.243  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        7.612  -1.197   0.982  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1        6.646  -0.275   0.293  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        7.021   1.163   0.254  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1        8.059   1.573   0.762  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        6.149   1.990  -0.401  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1        6.376   2.979  -0.432  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1        4.952   1.627  -0.931  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8