REMARK  Name = BDB058056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.756  -2.425   0.307  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        2.979  -1.879   0.321  0.00  0.00    +0.176 C 
ATOM      3  C   LIG    1        4.222  -2.689   0.415  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1        4.356  -3.890   0.489  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1        5.273  -1.679   0.387  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        4.654  -0.434   0.291  0.00  0.00    +0.152 A 
ATOM      7  C   LIG    1        5.410   0.723   0.244  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        6.811   0.594   0.300  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        7.420  -0.675   0.393  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        6.645  -1.835   0.436  0.00  0.00    +0.015 A 
ATOM     11  O   LIG    1        3.283  -0.528   0.235  0.00  0.00    -0.451 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -2.083  -0.434  -0.017  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -0.991   0.191   0.602  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        0.264  -0.430   0.713  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        0.477  -1.708   0.197  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1       -0.605  -2.356  -0.405  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -1.854  -1.727  -0.510  0.00  0.00    +0.024 A 
BRANCH  12  22
ATOM     18  C   LIG    1       -7.289   1.172  -0.386  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -5.913   1.647  -0.495  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1       -5.181   0.971  -1.586  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1       -4.285  -0.218  -1.164  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1       -3.321   0.178  -0.123  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1       -3.673   1.365   0.674  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.209   1.496   0.798  0.00  0.00    +0.103 C 
ENDBRANCH  12  22
ENDBRANCH   1  15
BRANCH   7  25
ATOM     25  C   LIG    1        4.756   2.049   0.179  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1        3.671   2.266   0.697  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        5.421   3.030  -0.505  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        6.168   2.824  -1.154  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        4.906   3.891  -0.647  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 3