REMARK  Name = BDB026528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.075  -0.939  -2.173  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.406  -1.628  -1.222  0.00  0.00    +0.305 C 
ATOM      3  N   LIG    1       -0.335  -1.808  -0.056  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1        0.247  -2.860   0.752  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1        1.670  -2.962   0.215  0.00  0.00    +0.128 C 
ATOM      6  N   LIG    1        1.553  -2.402  -1.114  0.00  0.00    -0.278 N 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.713  -1.357   0.105  0.00  0.00    +0.142 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.699  -2.123  -0.800  0.00  0.00    +0.146 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -2.650  -1.669  -2.160  0.00  0.00    -0.389 OA
ATOM     10  H   LIG    1       -1.736  -1.362  -2.341  0.00  0.00    +0.210 HD
ENDBRANCH   8   9
BRANCH   8  11
ATOM     11  C   LIG    1       -4.155  -2.047  -0.280  0.00  0.00    +0.117 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -4.621  -0.721   0.185  0.00  0.00    -0.295 NA
ATOM     13  C   LIG    1       -5.933  -0.870   0.852  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -6.578   0.443   1.243  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -6.208   1.642   0.611  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -6.840   2.841   0.966  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -7.853   2.846   1.925  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -8.236   1.656   2.539  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.089   1.643  -0.397  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -7.605   0.460   2.198  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.754   0.240  -0.925  0.00  0.00    +0.089 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   3   7
BRANCH   6  22
ATOM     22  C   LIG    1        2.681  -2.291  -2.018  0.00  0.00    +0.164 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.700  -1.267  -1.565  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1        4.813  -1.730  -0.937  0.00  0.00    -0.257 NA
ATOM     25  C   LIG    1        5.715  -0.809  -0.518  0.00  0.00    +0.127 A 
ATOM     26  C   LIG    1        5.562   0.561  -0.681  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        4.410   1.016  -1.313  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        3.464   0.094  -1.760  0.00  0.00    +0.026 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.554   1.477  -0.215  0.00  0.00    -0.064 C 
ATOM     30  C   LIG    1        7.388   2.249   0.174  0.00  0.00    -0.089 C 
BRANCH  30  31
ATOM     31  C   LIG    1        8.391   3.182   0.638  0.00  0.00    +0.115 C 
ATOM     32  C   LIG    1        9.764   3.107  -0.044  0.00  0.00    +0.178 C 
ATOM     33  O   LIG    1       10.438   3.059   1.240  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1        9.174   2.778   1.895  0.00  0.00    +0.178 C 
ENDBRANCH  30  31
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 9