REMARK  Name = BDB012321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.462  -1.087   0.803  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -1.676  -1.074   0.111  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -1.913  -2.276  -0.502  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1       -0.846  -3.016  -0.214  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.081  -2.338   0.586  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.621   0.003  -0.004  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -2.360   1.189   0.610  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -3.263   2.183   0.484  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -4.435   2.064  -0.232  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.695   0.847  -0.859  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -3.781  -0.202  -0.748  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.953   0.717  -1.629  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -6.792   1.589  -1.768  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.101  -0.495  -2.188  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.960  -0.442  -2.658  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.036  -0.014   1.484  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.208  -0.118   2.180  0.00  0.00    +0.266 C 
BRANCH  17  22
ATOM     18  C   LIG    1        5.887   0.569  -1.232  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.690   0.411  -0.342  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        4.711  -0.499   0.720  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.586  -0.670   1.530  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        2.411   0.052   1.280  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        2.394   0.964   0.217  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.519   1.134  -0.594  0.00  0.00    +0.004 A 
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6