REMARK  Name = BDB003503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.233  -1.078   0.840  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -0.578   1.558   1.248  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -1.451   0.544   0.564  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1       -1.021  -0.777   0.376  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -1.859  -1.684  -0.273  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.122  -1.287  -0.731  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.579   0.031  -0.571  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1       -2.719   0.931   0.092  0.00  0.00    +0.011 A 
BRANCH   7   9
ATOM      9  C   LIG    1       -4.991   0.489  -1.045  0.00  0.00    -0.009 C 
ATOM     10  C   LIG    1       -4.847   1.848  -1.777  0.00  0.00    +0.016 C 
ATOM     11  C   LIG    1       -5.594  -0.495  -2.067  0.00  0.00    +0.016 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.862   0.609   0.254  0.00  0.00    +0.017 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -7.409   0.828   0.249  0.00  0.00    -0.037 C 
ATOM     14  C   LIG    1       -8.181  -0.451  -0.126  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -7.814   1.181   1.704  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -7.865   1.983  -0.649  0.00  0.00    +0.010 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        0.504  -2.463   1.092  0.00  0.00    +0.257 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.852  -2.547   1.808  0.00  0.00    +0.200 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.875  -2.131   0.894  0.00  0.00    -0.378 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.139  -1.949   1.526  0.00  0.00    +0.142 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.136  -1.390   0.496  0.00  0.00    -0.047 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.893   0.091   0.087  0.00  0.00    +0.380 N 
ATOM     23  C   LIG    1        5.198   1.027   1.245  0.00  0.00    -0.092 C 
ATOM     24  C   LIG    1        3.439   0.314  -0.354  0.00  0.00    -0.092 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.785   0.436  -1.135  0.00  0.00    -0.040 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.274   0.264  -0.958  0.00  0.00    -0.063 A 
ATOM     27  C   LIG    1        7.897  -0.944  -1.315  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        9.270  -1.115  -1.135  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       10.038  -0.082  -0.604  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.438   1.129  -0.265  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.065   1.304  -0.444  0.00  0.00    +0.002 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12