REMARK  Name = BDB028763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.483  -0.667  -0.640  0.00  0.00    -0.319 N 
ATOM      2  C   LIG    1       -2.486   0.231  -0.335  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.845   1.219   0.409  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -2.584   2.309   0.892  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.954   2.373   0.612  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -4.577   1.370  -0.132  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -0.510   0.941   0.556  0.00  0.00    -0.222 NA
ATOM      8  C   LIG    1       -3.856   0.275  -0.622  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.324  -0.193  -0.077  0.00  0.00    +0.171 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.005  -3.078  -0.553  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -1.660  -1.879  -1.418  0.00  0.00    +0.121 C 
ENDBRANCH   1  11
BRANCH   9  12
ATOM     12  S   LIG    1        1.197  -1.016  -0.196  0.00  0.00    -0.075 S 
BRANCH  12  13
ATOM     13  C   LIG    1        2.226  -0.015   0.943  0.00  0.00    +0.141 C 
ATOM     14  C   LIG    1        3.419  -0.869   1.351  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1        3.365  -1.707   2.251  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1        4.582  -0.702   0.636  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        5.352  -1.299   0.904  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.834   0.178  -0.386  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.925   0.195  -0.948  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.695   1.072  -0.809  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        2.715   1.299   0.333  0.00  0.00    +0.033 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 3