REMARK  Name = BDB061215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.875   1.490   0.212  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -0.978   0.493  -0.137  0.00  0.00    +0.062 A 
ATOM      3  N   LIG    1        0.250   0.825   0.419  0.00  0.00    -0.236 N 
ATOM      4  N   LIG    1        0.111   1.883   1.270  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -1.131   2.314   1.076  0.00  0.00    +0.150 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.541   0.250   0.225  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1        2.578   0.588   1.112  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        3.857   0.048   0.950  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.117  -0.823  -0.104  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        3.102  -1.147  -1.002  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        1.820  -0.609  -0.844  0.00  0.00    +0.028 A 
ENDBRANCH   3   6
BRANCH   2  12
ATOM     12  C   LIG    1       -1.363  -0.764  -0.979  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1       -2.501  -1.635  -0.501  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -1.097  -2.142  -0.427  0.00  0.00    +0.010 C 
ENDBRANCH   2  12
BRANCH   1  16
ATOM     15  O   LIG    1       -3.676   1.221  -1.293  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -3.252   1.634  -0.224  0.00  0.00    +0.340 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -4.063   2.276   0.657  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -3.651   2.435   1.524  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4