REMARK  Name = BDB050293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.254  -1.542   1.841  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.391  -0.626   1.217  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.052  -0.959   0.982  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1        0.432  -2.206   1.394  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.419  -3.120   2.013  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.758  -2.792   2.231  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.883  -0.002   0.319  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        2.148  -0.054   0.625  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        0.314   0.990  -0.677  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        2.882   0.926  -0.063  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.251   0.835   0.329  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.033   1.885  -0.417  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        5.579   1.603  -1.678  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        6.289   2.581  -2.378  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        6.449   3.850  -1.824  0.00  0.00    +0.013 A 
ATOM     16  I   LIG    1        7.504   5.307  -2.866  0.00  0.00    -0.044 I 
ATOM     17  C   LIG    1        5.900   4.150  -0.578  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        5.191   3.170   0.121  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.707  -1.192   2.070  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.605  -1.674   0.927  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.063  -1.543   1.366  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -6.576  -2.175   2.277  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -6.742  -0.626   0.630  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -6.114  -0.245  -0.029  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -4.433  -0.821  -0.229  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -3.710  -0.552  -2.486  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -3.906  -1.535  -1.351  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10