REMARK  Name = BDB012378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.807  -1.224  -0.809  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.981  -1.142  -1.574  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.846  -1.838  -2.745  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.594  -2.279  -2.745  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.096  -1.932  -1.580  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.226  -0.468  -1.296  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        4.238  -0.618  -2.201  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        5.408   0.018  -1.993  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.656   0.805  -0.890  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.630   0.936   0.041  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.394   0.314  -0.162  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.799   1.774   1.245  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        3.930   2.519   1.661  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.991   1.594   1.852  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.516   0.843   1.519  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.713  -0.676   0.410  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.527  -0.829   1.116  0.00  0.00    +0.266 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.965  -0.177   0.620  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1       -1.593   0.154   0.669  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -1.203   1.469   0.348  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.138   2.430  -0.039  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.493   2.111  -0.090  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -4.500   3.130  -0.533  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -3.895   0.809   0.233  0.00  0.00    +0.007 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -3.624  -1.717   2.501  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -3.502  -1.541   0.994  0.00  0.00    +0.032 C 
ENDBRANCH  18  26
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7