REMARK  Name = BDB058677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.876  -1.123  -0.473  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.759  -0.334   0.678  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.521   0.026   1.152  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        0.954   0.743   2.292  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.327   0.761   2.273  0.00  0.00    +0.092 A 
ATOM      6  N   LIG    1        2.777   0.136   1.123  0.00  0.00    -0.316 N 
ATOM      7  C   LIG    1        1.664  -0.387   0.453  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        1.547  -1.235  -0.666  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.270  -1.586  -1.119  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.150   0.080   0.728  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        4.508   0.037  -0.626  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.856  -0.003  -1.003  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        6.861   0.009  -0.030  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        6.508   0.070   1.322  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        5.162   0.112   1.700  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.300  -0.031  -0.382  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        9.227  -0.011   0.407  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        8.512  -0.095  -1.708  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        9.489  -0.119  -1.789  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  C   LIG    1       -2.202  -1.529  -1.014  0.00  0.00    +0.195 C 
ATOM     21  O   LIG    1       -2.312  -2.478  -1.783  0.00  0.00    -0.287 OA
BRANCH  20  28
ATOM     22  C   LIG    1       -4.745   2.758  -1.156  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -4.695   1.300  -0.783  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -5.822   0.644  -0.239  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1       -7.113   1.378   0.009  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.738  -0.721   0.081  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -4.545  -1.420  -0.144  0.00  0.00    +0.137 A 
ATOM     28  C   LIG    1       -3.428  -0.783  -0.680  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1       -3.510   0.576  -1.010  0.00  0.00    +0.017 A 
BRANCH  27  30
ATOM     30  N   LIG    1       -4.477  -2.809   0.268  0.00  0.00    +0.057 N 
ATOM     31  O   LIG    1       -3.570  -3.116   1.054  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -5.379  -3.561  -0.126  0.00  0.00    -0.126 OA
ENDBRANCH  27  30
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 6