REMARK  Name = BDB058060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.401  -0.777  -0.539  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -3.625   0.367  -0.517  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -2.254   0.434  -0.421  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -1.927   1.783  -0.442  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -3.153   2.617  -0.533  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -3.264   3.823  -0.560  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -0.694   2.304  -0.373  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.220   1.626  -0.577  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -5.587   1.808  -0.658  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -6.383   0.662  -0.684  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.798  -0.621  -0.629  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        0.564   1.552  -0.262  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        1.627   2.129   0.444  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.857   1.468   0.556  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.064   0.216  -0.042  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1        2.000  -0.347  -0.762  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        0.770   0.313  -0.877  0.00  0.00    +0.008 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.356  -0.481   0.078  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        4.421  -1.809   0.533  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.646  -2.472   0.649  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.828  -1.818   0.311  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.786  -0.502  -0.142  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.560   0.160  -0.257  0.00  0.00    +0.008 A 
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  27
ATOM     24  N   LIG    1       -4.477  -3.116   0.103  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -5.247  -2.929   0.729  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.983  -3.992   0.224  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -3.771  -2.116  -0.508  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1       -2.669  -2.329  -0.993  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3