REMARK  Name = BDB000948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207  -0.362  -0.750  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.803   0.212  -0.018  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.751   0.544   0.937  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.930   0.277  -0.798  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.547  -0.301  -1.998  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.483  -0.410  -3.034  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.784   0.064  -2.819  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.145   0.647  -1.598  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.215   0.779  -0.553  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.232  -0.693  -1.953  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -1.989   1.742   0.513  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -2.478   0.582  -0.227  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1       -1.592  -0.607  -0.200  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -1.554  -1.301   1.176  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -2.961  -1.663   1.647  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -3.893  -0.459   1.573  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -3.837   0.208   0.197  0.00  0.00    +0.085 C 
ENDBRANCH   1  13
BRANCH   9  18
ATOM     18  C   LIG    1        3.514   1.391   0.766  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        2.721   1.306   1.699  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        4.681   2.087   0.905  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        4.805   2.583   1.779  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        5.239   2.390   0.120  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2