REMARK  Name = BDB011626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535   0.152  -2.160  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.194   0.912  -1.207  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.714   1.747  -0.901  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.071  -0.601  -2.963  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.503   0.758  -0.844  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.291  -0.514  -0.889  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.825  -1.630  -1.054  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.611  -0.187  -0.531  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.599   1.154  -0.028  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.806   1.942  -0.278  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -3.322   1.666  -0.286  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.995   3.091   0.026  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.461  -1.201   0.100  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.518  -1.079   1.630  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.293  -2.235   2.265  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.469  -2.728   1.419  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -7.958  -1.671   0.438  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.858  -1.267  -0.544  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        1.566  -0.399   0.200  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        1.846   0.220  -1.121  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.060   0.682  -1.627  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        2.821   1.092  -2.918  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1        1.496   0.947  -3.251  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        0.903   0.421  -2.176  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.382   0.741  -1.061  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1        5.614   0.450  -1.904  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        6.942   0.837  -1.251  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        6.984   0.490   0.245  0.00  0.00    +0.073 C 
ATOM     29  O   LIG    1        8.236   0.980   0.773  0.00  0.00    -0.373 OA
ATOM     30  C   LIG    1        9.097  -0.134   1.054  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        8.459  -1.358   0.437  0.00  0.00    +0.031 C 
ATOM     32  C   LIG    1        6.990  -1.019   0.514  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1        5.827   1.216   0.950  0.00  0.00    +0.062 C 
ATOM     34  C   LIG    1        4.511   1.115   0.229  0.00  0.00    -0.017 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4