REMARK  Name = BDB013247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.591  -0.863  -0.546  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        2.172  -0.246   0.640  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.822   0.081   0.871  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        0.459   0.710   2.192  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -1.016   0.534   2.522  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -1.861   1.022   1.356  0.00  0.00    +0.010 C 
ATOM      7  C   LIG    1       -1.615   0.190   0.077  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -0.141  -0.162  -0.127  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1        0.276  -0.812  -1.300  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.618  -1.147  -1.509  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        4.158  -2.648  -0.871  0.00  0.00    +0.135 C 
ATOM     12  N   LIG    1        3.954  -1.197  -0.771  0.00  0.00    -0.303 N 
BRANCH  12  13
ATOM     13  C   LIG    1        5.055  -0.410  -0.348  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        4.988   0.992  -0.464  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.047   1.817  -0.073  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.210   1.255   0.441  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.310  -0.128   0.558  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        6.246  -0.949   0.165  0.00  0.00    +0.023 A 
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   7  19
ATOM     19  C   LIG    1       -2.223   0.930  -1.146  0.00  0.00    +0.109 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.659   1.190  -1.015  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1       -3.879   1.892  -0.300  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.604   0.157  -1.013  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -5.887   0.316  -0.451  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -6.842  -0.707  -0.550  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -6.503  -1.868  -1.212  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -5.302  -2.065  -1.782  0.00  0.00    -0.261 NA
ATOM     27  C   LIG    1       -4.404  -1.052  -1.685  0.00  0.00    +0.134 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -6.335   1.531   0.280  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1       -7.490   1.793   0.569  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.336   2.345   0.675  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -5.811   3.065   1.144  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 7