REMARK  Name = BDB055365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.666  -2.143   0.847  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -4.821  -0.889   0.059  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -3.757  -0.019  -0.307  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -4.163   1.067  -1.030  0.00  0.00    +0.102 A 
ATOM      5  C   LIG    1       -3.246   2.060  -1.495  0.00  0.00    +0.266 A 
ATOM      6  N   LIG    1       -1.952   1.794  -1.104  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -1.267   2.444  -1.455  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -1.585   0.674  -0.372  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -3.508   3.051  -2.172  0.00  0.00    -0.267 OA
ATOM     10  S   LIG    1       -5.832   1.080  -1.297  0.00  0.00    -0.090 S 
ATOM     11  N   LIG    1       -2.414  -0.245   0.035  0.00  0.00    -0.228 NA
ATOM     12  C   LIG    1       -6.021  -0.393  -0.429  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -0.132   0.545  -0.070  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        0.422  -0.734   0.038  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.784  -0.892   0.314  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        2.623   0.222   0.496  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.044   1.500   0.403  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        0.682   1.664   0.127  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1        4.109   0.042   0.802  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        4.305  -0.656   2.154  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.816  -0.734  -0.317  0.00  0.00    +0.046 C 
BRANCH  19  22
ATOM     22  O   LIG    1        4.747   1.323   0.890  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1        5.684   1.173   1.099  0.00  0.00    +0.211 HD
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH   8  13
TORSDOF 3