REMARK  Name = BDB001393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.154  -0.295   0.092  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.041  -1.305  -0.497  0.00  0.00    -0.259 N 
ATOM      3  C   LIG    1       -1.921  -1.855   0.409  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -2.745  -2.731   0.228  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -1.716  -1.160   1.679  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.408  -1.323   2.866  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.067  -0.488   3.929  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.063   0.485   3.777  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -0.380   0.629   2.564  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.701  -0.219   1.510  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.256   1.016  -0.705  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.699   1.345  -1.686  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        0.594   2.519  -2.434  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -0.475   3.385  -2.228  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.447   3.072  -1.282  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.344   1.896  -0.534  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1        1.149  -0.886   0.040  0.00  0.00    -0.348 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.163  -0.301   0.849  0.00  0.00    +0.163 C 
BRANCH  18  20
ATOM     19  C   LIG    1        4.662  -0.263   1.174  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1        3.510  -0.828   0.364  0.00  0.00    +0.025 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  21
ATOM     21  C   LIG    1       -0.880  -1.817  -1.848  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.997  -1.363  -2.786  0.00  0.00    +0.175 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.732  -1.815  -4.111  0.00  0.00    -0.393 OA
ATOM     24  H   LIG    1       -2.502  -1.562  -4.649  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 7