REMARK  Name = BDB063029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.551  -0.486  -0.486  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.850   0.332  -1.383  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        0.496   0.635  -1.160  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1        1.425   1.954  -2.504  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1        1.168   0.092  -0.056  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        0.453  -0.695   0.860  0.00  0.00    +0.057 A 
ATOM      7  I   LIG    1        1.323  -1.433   2.624  0.00  0.00    -0.040 I 
ATOM      8  C   LIG    1       -0.898  -0.996   0.639  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.980  -0.787  -0.792  0.00  0.00    +0.174 C 
ATOM     10  O   LIG    1       -3.316  -0.771  -1.975  0.00  0.00    -0.291 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -5.287  -0.332   0.283  0.00  0.00    +0.188 C 
ATOM     12  C   LIG    1       -3.939  -1.090   0.354  0.00  0.00    +0.134 C 
ATOM     13  C   LIG    1       -4.465  -2.482   0.282  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -5.782  -2.450  -0.157  0.00  0.00    +0.125 A 
ATOM     15  C   LIG    1       -6.511  -3.600  -0.374  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -5.890  -4.824  -0.118  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.562  -4.868   0.337  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.836  -3.690   0.536  0.00  0.00    +0.008 A 
ATOM     19  O   LIG    1       -6.268  -1.185  -0.362  0.00  0.00    -0.487 OA
BRANCH  11  20
ATOM     20  C   LIG    1       -5.258   1.044  -0.392  0.00  0.00    +0.045 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.579   1.800  -0.200  0.00  0.00    +0.003 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -7.835   3.933  -0.673  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -6.529   3.177  -0.862  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  24
ATOM     24  O   LIG    1        2.488   0.393   0.167  0.00  0.00    -0.490 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.351  -0.561  -0.471  0.00  0.00    +0.229 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.767   0.020  -0.484  0.00  0.00    +0.039 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.338   0.191   0.926  0.00  0.00    -0.015 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.471   1.212   1.070  0.00  0.00    -0.076 C 
BRANCH  28  29
ATOM     29  N   LIG    1        7.816   0.861   0.411  0.00  0.00    +0.374 N 
ATOM     30  C   LIG    1        7.805   1.109  -1.093  0.00  0.00    -0.093 C 
ATOM     31  C   LIG    1        8.245  -0.571   0.697  0.00  0.00    -0.093 C 
ATOM     32  C   LIG    1        8.875   1.800   1.015  0.00  0.00    -0.093 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 11