REMARK  Name = BDB036450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.321   0.733  -1.538  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.761   0.574  -0.635  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.867   0.871  -1.411  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        3.187   0.840  -0.963  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        3.399   0.527   0.386  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.290   0.236   1.204  0.00  0.00    +0.069 A 
ATOM      7  O   LIG    1        1.467   1.217  -2.663  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.969   0.242   0.714  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1        0.085   1.171  -2.734  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.683   0.580  -1.288  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -2.218   1.020  -2.040  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.282  -1.004  -1.201  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.843  -1.334  -2.495  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -1.298  -1.869  -0.582  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.644   0.121  -0.307  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -3.637  -0.825  -0.066  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -3.687  -1.663   1.057  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -4.742  -1.551   1.959  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.741  -0.608   1.738  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.694   0.224   0.614  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -5.664   1.664  -1.815  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.525   0.906  -1.423  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  23
ATOM     23  N   LIG    1        4.686   0.437   0.957  0.00  0.00    -0.298 N 
ATOM     24  H   LIG    1        4.699   0.712   1.934  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        5.918   0.306   0.422  0.00  0.00    +0.145 A 
ATOM     26  N   LIG    1        7.022   0.647   1.094  0.00  0.00    -0.159 NA
ATOM     27  N   LIG    1        8.027   0.352   0.256  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1        8.976   0.546   0.557  0.00  0.00    +0.188 HD
ATOM     29  C   LIG    1        7.613  -0.203  -0.916  0.00  0.00    +0.107 A 
ATOM     30  C   LIG    1        6.242  -0.259  -0.833  0.00  0.00    +0.064 A 
ENDBRANCH  23  25
ENDBRANCH   5  23
BRANCH   8  31
ATOM     31  O   LIG    1       -0.111   0.015   1.533  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1        0.026  -1.165   2.323  0.00  0.00    +0.277 C 
ENDBRANCH   8  31
TORSDOF 7