REMARK  Name = BDB016103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.927   2.266   0.400  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.087   1.280   0.035  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.192   1.579  -0.252  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.663   2.888  -0.168  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.719   3.831   0.207  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.573   3.557   0.488  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.017   0.100   0.945  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.714   0.523   0.642  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.313   1.875   0.720  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.283   2.808   1.116  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.589   2.409   1.419  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.953   1.063   1.333  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        3.757  -4.855   0.675  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.248  -3.499   0.733  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.569  -3.262   0.643  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.650  -1.930   0.711  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.387  -1.305   0.847  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.502  -2.365   0.870  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.037   3.269  -0.428  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.433   4.408  -1.101  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.798   4.378  -1.133  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.676   5.356  -1.728  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.323   3.295  -0.534  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.252   2.629  -0.092  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.053   0.514  -0.613  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -2.536   0.778  -1.471  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.369  -0.782  -0.737  0.00  0.00    +0.120 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.382  -1.911  -0.979  0.00  0.00    +0.124 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -1.736  -3.141  -1.471  0.00  0.00    -0.193 NA
ATOM     30  H   LIG    1       -1.268  -3.103  -2.378  0.00  0.00    +0.148 HD
BRANCH  29  31
ATOM     31  S   LIG    1       -1.000  -4.194  -0.399  0.00  0.00    +0.027 S 
ATOM     32  O   LIG    1       -0.459  -3.433   0.701  0.00  0.00    -0.158 OA
ATOM     33  O   LIG    1       -0.157  -5.047  -1.206  0.00  0.00    -0.158 OA
ATOM     34  C   LIG    1       -2.382  -5.159   0.175  0.00  0.00    +0.214 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 8