REMARK  Name = BDB051378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.279   0.915   0.468  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.608   0.875   0.151  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        3.300   2.064   0.388  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        4.666   2.163   0.110  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        5.358   1.065  -0.402  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        4.665  -0.123  -0.651  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        3.296  -0.220  -0.373  0.00  0.00    +0.047 A 
BRANCH   5   8
ATOM      8  S   LIG    1        7.098   1.209  -0.755  0.00  0.00    -0.114 S 
BRANCH   8   9
ATOM      9  C   LIG    1        7.746   0.058   0.499  0.00  0.00    +0.194 C 
BRANCH   9  10
ATOM     10  C   LIG    1        9.257   0.048   0.523  0.00  0.00    +0.315 C 
ATOM     11  O   LIG    1       10.044   0.707  -0.133  0.00  0.00    -0.250 OA
BRANCH  10  12
ATOM     12  O   LIG    1        9.729  -0.840   1.430  0.00  0.00    -0.480 OA
ATOM     13  H   LIG    1       10.703  -0.748   1.354  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.509  -0.257   0.203  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.930   0.028   0.612  0.00  0.00    +0.082 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.833  -1.169   0.345  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.164  -0.896   0.782  0.00  0.00    -0.492 OA
BRANCH  17  22
ATOM     18  C   LIG    1       -7.915  -0.246  -0.279  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.456  -0.141  -0.632  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -5.439  -0.538   0.267  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1       -5.789  -1.117   1.617  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -4.086  -0.453  -0.131  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -3.761   0.085  -1.379  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.766   0.507  -2.249  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.103   0.391  -1.881  0.00  0.00    +0.004 A 
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 10