REMARK  Name = BDB017416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.494  -0.087  -1.104  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1       -0.414  -0.640  -2.398  0.00  0.00    +0.160 A 
ATOM      3  N   LIG    1        0.746  -1.112  -2.891  0.00  0.00    -0.132 NA
ATOM      4  N   LIG    1        1.891  -1.054  -2.140  0.00  0.00    -0.147 NA
ATOM      5  C   LIG    1        1.878  -0.518  -0.898  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1        0.694  -0.020  -0.366  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.959  -1.548   0.997  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -2.639  -0.602   0.003  0.00  0.00    +0.070 C 
ATOM      9  N   LIG    1       -1.715   0.398  -0.595  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -1.675   1.704   0.069  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1       -3.042   2.377  -0.086  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -4.211   1.391  -0.020  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1       -3.817   0.110   0.704  0.00  0.00    +0.022 C 
ENDBRANCH   1   9
BRANCH   5  14
ATOM     14  C   LIG    1        3.178  -0.485  -0.198  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        4.402  -0.363  -0.887  0.00  0.00    +0.126 A 
ATOM     16  C   LIG    1        5.624  -0.300  -0.214  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.660  -0.378   1.174  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.474  -0.521   1.886  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.250  -0.575   1.208  0.00  0.00    +0.014 A 
BRANCH  15  20
ATOM     20  O   LIG    1        4.484  -0.288  -2.255  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        3.617  -0.547  -2.628  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
ENDBRANCH   5  14
BRANCH   2  22
ATOM     22  N   LIG    1       -1.570  -0.685  -3.212  0.00  0.00    -0.340 N 
ATOM     23  H   LIG    1       -2.243  -1.285  -2.749  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1       -1.972   0.251  -3.170  0.00  0.00    +0.144 HD
ENDBRANCH   2  22
TORSDOF 4