REMARK  Name = BDB017104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.101  -0.177  -1.679  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1       -0.265  -0.504  -2.808  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.219  -0.342   0.693  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.716  -0.498  -0.602  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.338  -0.421  -0.863  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.444  -0.180   0.203  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.062  -0.101  -0.054  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.562  -0.254  -1.353  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.457  -0.498  -2.401  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.960  -0.025   1.499  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.831  -0.579  -2.160  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.335  -0.105   1.743  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.143  -0.294   2.090  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.579  -0.443   0.793  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.889   0.317  -0.626  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -2.329  -0.040  -1.036  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -3.355   0.363  -0.048  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -2.958   1.538   0.742  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.069   2.497  -0.048  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -0.746   1.833  -0.424  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -3.838  -0.768   0.769  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -4.722  -1.718  -0.061  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -6.090  -1.040  -0.118  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -6.166  -0.161   1.129  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.852  -0.392   1.867  0.00  0.00    +0.019 C 
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 4