REMARK  Name = BDB033430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.191  -3.923   0.605  0.00  0.00    +0.096 S 
ATOM      2  O   LIG    1       -0.499  -3.849   1.875  0.00  0.00    -0.148 OA
ATOM      3  O   LIG    1       -1.695  -5.192   0.117  0.00  0.00    -0.148 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.048  -3.304  -0.622  0.00  0.00    +0.236 A 
ATOM      5  S   LIG    1        0.489  -4.361  -1.852  0.00  0.00    -0.055 S 
ATOM      6  C   LIG    1        1.329  -3.058  -2.583  0.00  0.00    +0.081 A 
ATOM      7  C   LIG    1        1.189  -1.901  -1.832  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1        0.407  -2.067  -0.691  0.00  0.00    -0.216 NA
BRANCH   7   9
ATOM      9  C   LIG    1        1.736  -0.602  -2.263  0.00  0.00    +0.266 C 
ATOM     10  N   LIG    1        1.961   0.382  -1.311  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.504   1.669  -1.717  0.00  0.00    +0.139 C 
ATOM     12  C   LIG    1        3.001   2.335  -0.433  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1        2.246   1.614   0.676  0.00  0.00    +0.052 C 
ATOM     14  C   LIG    1        2.042   0.211   0.131  0.00  0.00    +0.111 C 
ATOM     15  O   LIG    1        1.976  -0.402  -3.455  0.00  0.00    -0.268 OA
BRANCH  12  16
ATOM     16  O   LIG    1        2.745   3.730  -0.395  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1        1.788   3.880  -0.538  0.00  0.00    +0.210 HD
ENDBRANCH  12  16
ENDBRANCH   7   9
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  N   LIG    1       -2.571  -2.899   0.674  0.00  0.00    -0.212 N 
ATOM     19  H   LIG    1       -3.254  -3.394   1.252  0.00  0.00    +0.174 HD
BRANCH  18  27
ATOM     20  C   LIG    1       -1.380   2.422   2.591  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -1.718   1.065   2.028  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -1.820   0.784   0.637  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -2.158  -0.514   0.236  0.00  0.00    +0.071 A 
ATOM     24  N   LIG    1       -2.256  -0.510  -1.139  0.00  0.00    -0.358 N 
ATOM     25  H   LIG    1       -2.500  -1.323  -1.688  0.00  0.00    +0.165 HD
ATOM     26  C   LIG    1       -1.895   0.710  -1.637  0.00  0.00    +0.102 A 
ATOM     27  C   LIG    1       -2.336  -1.567   1.140  0.00  0.00    +0.072 A 
ATOM     28  C   LIG    1       -2.196  -1.292   2.498  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -1.598   1.526  -0.567  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -1.902  -0.002   2.933  0.00  0.00    +0.006 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -1.075   2.850  -0.695  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -0.571   3.892  -0.787  0.00  0.00    -0.191 NA
ENDBRANCH  29  31
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 6