REMARK  Name = BDB032852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.764  -0.174  -0.118  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -0.768  -0.088   0.869  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        0.597  -0.181   0.553  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.967  -0.374  -0.781  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1        0.002  -0.402  -1.786  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.351  -0.292  -1.450  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.574  -0.060   1.672  0.00  0.00    +0.253 C 
ATOM      8  N   LIG    1        2.757   0.560   1.343  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        2.902   0.920   0.411  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        1.246  -0.472   2.778  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.766   0.750   2.244  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        5.124   1.563   1.595  0.00  0.00    -0.028 S 
ATOM     13  C   LIG    1        5.877   1.446   3.117  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1        5.063   0.802   4.018  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        3.845   0.398   3.502  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        7.183   1.969   3.355  0.00  0.00    +0.065 N 
ATOM     17  O   LIG    1        7.778   2.502   2.410  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        7.625   1.844   4.504  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -3.094   0.003   0.271  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -3.245  -0.267   1.241  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.200  -0.394  -0.596  0.00  0.00    +0.101 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.701   0.809  -1.398  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.067  -0.063  -1.790  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -5.780   0.447  -2.420  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   4  25
ATOM     25  O   LIG    1        2.312  -0.485  -1.149  0.00  0.00    -0.425 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.702  -1.802  -1.387  0.00  0.00    +0.309 C 
ATOM     27  O   LIG    1        1.995  -2.797  -1.327  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1        4.160  -1.816  -1.737  0.00  0.00    +0.136 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 9