REMARK  Name = BDB063838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.399   0.578   1.567  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.088   0.845   1.517  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.383   1.529   2.635  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.832   1.937   3.687  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.892   1.593   2.177  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.637   2.042   2.677  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.943   1.048   0.942  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.191   0.589   0.502  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        7.577   0.777  -0.495  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        6.623  -0.172  -1.008  0.00  0.00    -0.333 N 
ATOM     11  C   LIG    1        5.322  -0.316  -0.594  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        4.830  -1.347  -1.389  0.00  0.00    +0.089 A 
ATOM     13  C   LIG    1        3.503  -1.764  -1.224  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.707  -1.124  -0.262  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.207  -0.077   0.525  0.00  0.00    -0.021 A 
ATOM     16  N   LIG    1        5.795  -1.811  -2.250  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        4.544   0.334   0.374  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        6.859  -1.084  -1.997  0.00  0.00    +0.200 A 
ENDBRANCH   1  15
BRANCH   7  19
ATOM     19  N   LIG    1       -2.089   0.991   0.219  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.954   0.461  -0.640  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.439   0.924   0.761  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -4.434   1.372  -0.328  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.812   0.720  -0.244  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.874  -0.750  -0.685  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.537  -1.467  -0.864  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.717  -1.640   0.410  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.701  -0.458   1.377  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3