REMARK  Name = BDB056482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.217   0.611  -0.485  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        0.961  -0.145  -0.654  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        0.816  -1.508  -0.315  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        1.863  -2.416  -0.417  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        3.099  -1.958  -0.872  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.255  -0.611  -1.206  0.00  0.00    +0.119 A 
ATOM      7  S   LIG    1       -0.833  -1.882   0.256  0.00  0.00    -0.069 S 
ATOM      8  C   LIG    1        2.200   0.299  -1.102  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -1.266  -0.164   0.041  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -2.498   0.286   0.336  0.00  0.00    +0.079 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -3.651  -0.462   0.898  0.00  0.00    +0.156 C 
ATOM     12  O   LIG    1       -4.763  -0.285   0.401  0.00  0.00    -0.293 OA
ATOM     13  C   LIG    1       -3.467  -1.335   2.111  0.00  0.00    +0.091 C 
ENDBRANCH  10  11
BRANCH   1  15
ATOM     14  C   LIG    1        0.185   2.834   0.478  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -0.231   2.045  -0.754  0.00  0.00    +0.119 C 
ENDBRANCH   1  15
BRANCH   6  16
ATOM     16  O   LIG    1        4.454  -0.132  -1.650  0.00  0.00    -0.507 OA
ATOM     17  H   LIG    1        5.090  -0.865  -1.685  0.00  0.00    +0.292 HD
ENDBRANCH   6  16
TORSDOF 3