REMARK  Name = BDB051768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.594   0.002  -0.827  0.00  0.00    +0.263 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.538  -0.611   0.569  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -0.261  -1.403   0.837  0.00  0.00    +0.047 C 
BRANCH   3   4
ATOM      4  C   LIG    1        1.011  -0.568   0.756  0.00  0.00    +0.263 C 
BRANCH   4   5
ATOM      5  O   LIG    1        2.114  -1.401   1.113  0.00  0.00    -0.394 OA
BRANCH   5   7
ATOM      6  C   LIG    1        4.343  -1.354   1.299  0.00  0.00    +0.084 C 
ATOM      7  N   LIG    1        3.296  -0.671   0.933  0.00  0.00    -0.089 NA
ATOM      8  C   LIG    1        4.259  -2.769   1.836  0.00  0.00    +0.069 C 
BRANCH   6  12
ATOM      9  C   LIG    1        8.185   0.562   0.966  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        7.133   0.927   0.126  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.889   0.296   0.243  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.687  -0.709   1.197  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        6.738  -1.067   2.046  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        7.979  -0.434   1.924  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1        9.695   2.135   0.020  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        9.443   1.096   0.958  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   6  12
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -2.871   0.607  -1.034  0.00  0.00    -0.394 OA
BRANCH  17  18
ATOM     18  N   LIG    1       -3.762  -0.358  -1.528  0.00  0.00    -0.089 NA
ATOM     19  C   LIG    1       -4.960   0.125  -1.682  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.375   1.508  -1.357  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1       -5.714   2.387  -2.388  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -6.130   3.682  -2.074  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.209   4.085  -0.740  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.870   3.200   0.286  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.452   1.905  -0.020  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -6.035  -0.779  -2.267  0.00  0.00    +0.070 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.999  -2.172  -1.645  0.00  0.00    +0.127 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.392  -2.137  -0.187  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1       -7.067  -1.262   0.334  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.959  -3.218   0.501  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -5.414  -3.831  -0.029  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 14