REMARK  Name = BDB058547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.140  -3.331   0.796  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1        1.968  -2.786  -0.548  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1        2.670  -1.503  -0.727  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1        1.984  -0.297  -0.046  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        0.515  -0.184  -0.487  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -0.222  -1.511  -0.259  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        0.550  -2.673  -0.929  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.749   0.996  -0.284  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1        2.902   1.539  -1.570  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        3.612   2.727  -1.766  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        4.175   3.376  -0.673  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        4.039   2.857   0.607  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        3.329   1.671   0.802  0.00  0.00    +0.007 A 
BRANCH  11  14
ATOM     14  O   LIG    1        4.876   4.536  -0.818  0.00  0.00    -0.507 OA
ATOM     15  H   LIG    1        4.872   4.784  -1.756  0.00  0.00    +0.292 HD
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   6  16
ATOM     16  N   LIG    1       -1.585  -1.451  -0.815  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -1.527  -1.102  -1.772  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.546  -0.691  -0.187  0.00  0.00    +0.199 A 
ATOM     19  N   LIG    1       -3.093  -1.115   1.031  0.00  0.00    -0.282 N 
ATOM     20  C   LIG    1       -2.784  -2.413   1.600  0.00  0.00    +0.155 C 
ATOM     21  C   LIG    1       -4.015  -0.336   1.734  0.00  0.00    +0.279 A 
ATOM     22  O   LIG    1       -4.491  -0.631   2.827  0.00  0.00    -0.265 OA
ATOM     23  C   LIG    1       -4.353   0.856   1.038  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1       -3.822   1.188  -0.170  0.00  0.00    +0.097 A 
ATOM     25  C   LIG    1       -4.362   2.411  -0.590  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -5.239   2.806   0.405  0.00  0.00    +0.085 A 
ATOM     27  N   LIG    1       -5.225   1.848   1.395  0.00  0.00    -0.355 N 
ATOM     28  H   LIG    1       -5.767   1.861   2.251  0.00  0.00    +0.166 HD
ATOM     29  N   LIG    1       -2.883   0.404  -0.826  0.00  0.00    -0.214 NA
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4