REMARK  Name = BDB003380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.019   0.462  -0.384  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.083   1.980  -0.417  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        0.866   2.709  -0.685  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.391   2.605  -0.192  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.451   1.840   0.256  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.696   2.435   0.504  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.873   3.801   0.282  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.808   4.574  -0.177  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.252   0.414   0.516  0.00  0.00    +0.214 C 
ATOM     10  O   LIG    1       -3.032  -0.155   1.271  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -1.566   3.979  -0.410  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.080  -0.283  -0.083  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -1.094  -1.697  -0.221  0.00  0.00    -0.207 N 
ATOM     14  C   LIG    1       -2.192  -2.574  -0.349  0.00  0.00    +0.095 A 
ATOM     15  C   LIG    1       -1.621  -3.842  -0.418  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1       -2.430  -4.984  -0.519  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1       -3.817  -4.825  -0.584  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.381  -3.553  -0.562  0.00  0.00    +0.002 A 
ATOM     19  N   LIG    1       -0.269  -3.743  -0.407  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1       -3.584  -2.405  -0.456  0.00  0.00    +0.030 A 
ATOM     21  N   LIG    1        0.044  -2.462  -0.369  0.00  0.00    -0.059 NA
ENDBRANCH  12  13
BRANCH   1  22
ATOM     22  N   LIG    1        1.236  -0.067  -0.839  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        1.185  -1.077  -1.021  0.00  0.00    +0.152 HD
BRANCH  22  27
ATOM     24  C   LIG    1        5.130   0.597   0.715  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        4.933  -0.135  -0.459  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        3.637  -0.337  -0.945  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        2.518   0.181  -0.274  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        2.731   0.916   0.898  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        4.025   1.122   1.391  0.00  0.00    +0.017 A 
BRANCH  24  31
ATOM     30  O   LIG    1        6.731   1.459   2.294  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1        6.481   0.842   1.275  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1        7.462   0.300   0.531  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        8.280   0.541   1.014  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5