REMARK  Name = BDB057315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.892   0.125  -0.370  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.133  -1.184   0.051  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.291  -1.503   0.763  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.230  -0.509   1.067  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        2.987   0.801   0.638  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.826   1.116  -0.077  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.276   0.295  -1.059  0.00  0.00    -0.489 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.633   1.633  -1.425  0.00  0.00    +0.266 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.003   1.648  -2.124  0.00  0.00    +0.200 C 
BRANCH   9  13
ATOM     10  C   LIG    1       -5.157  -0.104   0.178  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -4.705  -0.622  -1.030  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -3.710  -0.076  -1.767  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1       -3.118   1.050  -1.281  0.00  0.00    +0.073 A 
ATOM     14  C   LIG    1       -3.516   1.646  -0.087  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.546   1.060   0.646  0.00  0.00    +0.007 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -7.636  -0.208   0.517  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -6.280  -0.757   0.933  0.00  0.00    +0.033 C 
ENDBRANCH  10  17
ENDBRANCH   9  13
BRANCH   9  18
ATOM     18  O   LIG    1       -1.906   0.959  -3.381  0.00  0.00    -0.382 OA
ATOM     19  H   LIG    1       -2.488   0.177  -3.272  0.00  0.00    +0.210 HD
ENDBRANCH   9  18
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        4.495  -0.861   1.817  0.00  0.00    +0.059 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.603  -1.345   0.879  0.00  0.00    +0.146 C 
ATOM     22  C   LIG    1        6.516  -0.220   0.422  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        6.160   0.896   0.070  0.00  0.00    -0.274 OA
ATOM     24  N   LIG    1        7.826  -0.592   0.450  0.00  0.00    -0.246 N 
ATOM     25  H   LIG    1        8.541   0.080   0.217  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        8.160  -1.655   1.216  0.00  0.00    +0.279 C 
ATOM     27  O   LIG    1        9.291  -1.954   1.557  0.00  0.00    -0.263 OA
ATOM     28  S   LIG    1        6.731  -2.510   1.729  0.00  0.00    -0.054 S 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8