REMARK  Name = BDB012322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.068   1.219   0.681  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -2.074   1.842  -0.074  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -1.869   3.193  -0.133  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1       -0.767   3.411   0.574  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.230   2.234   1.102  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -3.215   1.274  -0.751  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -4.010   2.123  -1.464  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -5.100   1.636  -2.092  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -5.452   0.306  -2.073  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.625  -0.561  -1.368  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -3.504  -0.083  -0.680  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -4.989  -1.993  -1.328  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -6.136  -2.381  -1.206  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -3.929  -2.813  -1.484  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -3.100  -2.375  -1.751  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -1.029  -0.109   0.861  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.047  -0.625   1.770  0.00  0.00    +0.266 C 
BRANCH  17  21
ATOM     18  C   LIG    1        3.904  -1.085   0.051  0.00  0.00    -0.048 A 
ATOM     19  C   LIG    1        3.745  -0.727   1.395  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.469  -0.577   1.942  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.326  -0.765   1.153  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        1.488  -1.133  -0.189  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        2.764  -1.283  -0.737  0.00  0.00    +0.004 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.787   0.085  -1.122  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        5.281  -1.228  -0.545  0.00  0.00    +0.032 C 
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7