REMARK  Name = BDB056063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.399   0.791   1.604  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.837   0.925   0.926  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1       -1.704   1.398   1.877  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -0.979   1.503   3.028  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1       -1.305   1.811   3.939  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        0.317   1.149   2.894  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        7.362  -1.446  -0.008  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        5.912  -1.074  -0.139  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1        5.208  -0.604   0.983  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.856  -0.304   0.805  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        3.189  -0.460  -0.406  0.00  0.00    +0.090 A 
ATOM     12  N   LIG    1        1.867  -0.093  -0.297  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        1.724   0.282   0.961  0.00  0.00    +0.161 A 
ATOM     14  C   LIG    1        3.895  -0.943  -1.515  0.00  0.00    +0.030 A 
ATOM     15  N   LIG    1        2.895   0.169   1.659  0.00  0.00    -0.337 N 
ATOM     16  H   LIG    1        2.998   0.402   2.636  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1        5.255  -1.251  -1.366  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   2  18
ATOM     18  N   LIG    1       -1.056   0.653  -0.384  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1       -0.262   0.227  -0.872  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.275   0.431  -1.056  0.00  0.00    +0.130 A 
ATOM     21  N   LIG    1       -3.427   0.341  -0.375  0.00  0.00    -0.197 NA
ATOM     22  C   LIG    1       -4.545   0.177  -1.103  0.00  0.00    +0.273 A 
ATOM     23  N   LIG    1       -4.654   0.111  -2.435  0.00  0.00    -0.200 NA
ATOM     24  C   LIG    1       -3.476   0.219  -3.059  0.00  0.00    +0.136 A 
ATOM     25 CL   LIG    1       -3.580   0.148  -4.770  0.00  0.00    -0.062 Cl
ATOM     26  C   LIG    1       -2.259   0.384  -2.437  0.00  0.00    +0.084 A 
BRANCH  22  27
ATOM     27  S   LIG    1       -6.062   0.088  -0.172  0.00  0.00    +0.029 S 
ATOM     28  O   LIG    1       -6.194   1.312   0.604  0.00  0.00    -0.167 OA
ATOM     29  O   LIG    1       -6.128  -1.215   0.469  0.00  0.00    -0.167 OA
ATOM     30  C   LIG    1       -7.336   0.126  -1.404  0.00  0.00    +0.204 C 
ENDBRANCH  22  27
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 4