REMARK  Name = BDB011637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.100  -1.364  -1.360  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.090  -0.602  -0.774  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.806   0.287  -0.373  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.306  -2.281  -2.148  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.447  -0.748  -0.852  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.319   0.384  -0.415  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.876   1.386   0.127  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.640   0.021  -0.675  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.641  -1.339  -1.105  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.560  -1.619  -2.216  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -3.292  -1.730  -1.207  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.966  -3.135  -1.600  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.755   0.499   0.144  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -6.023   2.001  -0.074  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.693   2.681   1.123  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.598   1.724   1.886  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.824   0.529   2.446  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.578   0.169   1.632  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        1.034  -0.198   1.517  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        1.758  -0.404   0.239  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.092  -0.149  -0.018  0.00  0.00    +0.144 A 
ATOM     22  O   LIG    1        3.380  -0.524  -1.288  0.00  0.00    -0.358 OA
ATOM     23  N   LIG    1        2.254  -1.020  -1.899  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.262  -0.934  -1.000  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.215   0.408   0.803  0.00  0.00    +0.058 C 
ATOM     26  C   LIG    1        4.917   1.593   0.119  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        5.950   1.187  -0.935  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1        6.939   0.145  -0.410  0.00  0.00    +0.170 C 
ATOM     29  O   LIG    1        7.797  -0.283  -1.479  0.00  0.00    -0.346 OA
ATOM     30  C   LIG    1        9.053   0.337  -1.210  0.00  0.00    +0.191 C 
ATOM     31  C   LIG    1        9.081   0.418   0.291  0.00  0.00    +0.191 C 
ATOM     32  O   LIG    1        7.734   0.747   0.629  0.00  0.00    -0.346 OA
ATOM     33  C   LIG    1        6.206  -1.074   0.153  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1        5.200  -0.687   1.239  0.00  0.00    +0.016 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4