REMARK  Name = BDB017136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.068  -0.796  -1.475  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        4.464  -0.397  -0.173  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        3.443  -0.082   0.757  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        3.784   0.303   2.064  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        5.116   0.398   2.462  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        6.129   0.117   1.556  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.091  -0.144   0.371  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.722  -0.500  -0.928  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.808  -0.272   0.254  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        2.718  -0.833  -1.849  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.863  -2.242  -2.204  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.724  -2.805  -1.375  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.429  -2.621  -2.952  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.036  -1.202  -2.519  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        5.044  -0.673  -3.621  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1        0.303  -0.589  -1.383  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1        0.036  -1.424  -2.251  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -0.808   0.277  -0.791  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1       -1.441  -0.438   0.410  0.00  0.00    +0.096 C 
ATOM     20  N   LIG    1       -2.542   0.292   1.053  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -2.478   1.749   0.934  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -1.045   2.258   0.779  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -0.432   1.740  -0.519  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -3.856  -0.310   0.819  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -4.352  -0.346  -0.631  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -5.848  -0.648  -0.520  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -6.247  -0.336   0.922  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -5.035   0.347   1.545  0.00  0.00    +0.019 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 4