REMARK  Name = BDB013831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.085  -0.057   0.569  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -0.917  -0.456  -0.363  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -3.454  -0.491   0.053  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -2.453   0.176   0.789  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.924   0.962   1.845  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -4.228   1.166   2.159  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -5.141   0.525   1.408  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -4.810  -0.308   0.359  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -1.999  -1.396  -1.647  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -3.083  -1.362  -1.092  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -4.091  -2.157  -1.497  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -3.699  -2.679  -2.229  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1       -0.129   0.997   0.884  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.236   0.601   0.374  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        1.984  -0.379   1.042  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        3.241  -0.760   0.568  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        3.767  -0.180  -0.593  0.00  0.00    -0.022 A 
ATOM     18  C   LIG    1        3.022   0.800  -1.260  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        1.765   1.181  -0.786  0.00  0.00    +0.005 A 
BRANCH  17  20
ATOM     20  C   LIG    1        5.133  -0.569  -1.090  0.00  0.00    +0.191 C 
BRANCH  20  21
ATOM     21  O   LIG    1        6.125   0.299  -0.557  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1        5.688   0.900   0.069  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 7