REMARK  Name = BDB016318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.216  -0.448   2.705  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.756   0.720   1.836  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.633   0.370   0.985  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.778   0.229   1.542  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.698  -0.570  -0.051  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.870  -0.954  -0.738  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.792  -1.913  -1.774  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.582  -2.468  -2.181  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.413  -2.061  -1.564  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -5.184  -0.500  -0.506  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.924  -0.964  -1.020  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.703   0.480   0.271  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.930   0.623   0.276  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.466  -1.110  -0.532  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.832   1.415   1.040  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.170  -0.715   0.099  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        0.826  -0.383  -0.803  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        0.556  -0.328  -1.777  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -0.103  -0.689   1.323  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.158  -0.015  -0.517  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.959   0.363  -1.607  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.304   0.737  -1.404  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.348   1.162  -2.270  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        6.465   1.393  -1.498  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1        6.136   1.125  -0.195  0.00  0.00    -0.350 N 
ATOM     26  C   LIG    1        7.041   1.249   0.926  0.00  0.00    +0.149 C 
ATOM     27  C   LIG    1        4.820   0.720  -0.108  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        4.040   0.342   0.993  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        2.707  -0.025   0.764  0.00  0.00    +0.025 A 
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2