REMARK  Name = BDB058928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181  -0.007  -1.512  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.699  -1.171  -0.928  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -2.040  -1.236  -0.537  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.898  -0.144  -0.725  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.382   1.011  -1.329  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.042   1.079  -1.722  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.306  -0.210  -0.306  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -4.829   0.547   0.762  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1       -6.198   0.513   1.069  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -7.059  -0.303   0.338  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.558  -1.078  -0.704  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.198  -1.029  -1.025  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.986   1.419   1.602  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -4.209   2.586   1.862  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -2.961   0.742   2.145  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -2.486   1.400   2.691  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1        1.263   0.080  -1.942  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1        2.486   0.580   0.218  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        2.192  -0.229  -0.863  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1        2.970  -1.365  -0.775  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        3.712  -1.183   0.388  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1        4.631  -2.168   0.803  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1        4.756  -3.319  -0.000  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.002  -3.482  -1.163  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.463  -2.039   2.045  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        3.091  -2.507  -1.576  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1        3.401   0.015   0.980  0.00  0.00    -0.232 NA
BRANCH  18  28
ATOM     28  C   LIG    1        1.823   1.899   0.476  0.00  0.00    +0.074 C 
BRANCH  28  30
ATOM     29  C   LIG    1        1.845   4.045   1.797  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        2.531   2.708   1.564  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7