REMARK  Name = BDB008572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.313  -1.126   0.769  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        1.416  -1.774  -0.084  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.241  -1.132  -0.513  0.00  0.00    -0.020 A 
ATOM      4  C   LIG    1        0.003   0.189  -0.078  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.882   0.838   0.787  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        2.035   0.172   1.201  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.771  -1.786  -1.454  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1       -0.425  -3.190  -1.971  0.00  0.00    +0.033 C 
BRANCH   7   9
ATOM      9  N   LIG    1       -2.149  -1.737  -0.897  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1       -3.061  -0.855  -1.502  0.00  0.00    +0.246 C 
ATOM     11  O   LIG    1       -2.720  -0.095  -2.415  0.00  0.00    -0.273 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.518  -0.831  -0.966  0.00  0.00    +0.217 C 
ATOM     13  O   LIG    1       -5.521  -0.534  -1.945  0.00  0.00    -0.365 OA
ATOM     14  C   LIG    1       -5.531   0.830  -2.389  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -5.145   1.845  -1.300  0.00  0.00    +0.109 C 
ATOM     16  N   LIG    1       -5.440   1.333   0.046  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -6.420   1.040   0.046  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -4.619   0.122   0.255  0.00  0.00    +0.122 C 
ENDBRANCH  10  12
BRANCH   9  19
ATOM     19  C   LIG    1       -2.556  -2.758   0.048  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -1.709  -3.261   1.190  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -2.904  -2.413   1.475  0.00  0.00    +0.024 C 
ENDBRANCH   9  19
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  O   LIG    1        3.476  -1.651   1.259  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.917  -2.894   0.722  0.00  0.00    +0.231 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.289  -3.257   1.295  0.00  0.00    +0.069 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.403  -2.329   0.814  0.00  0.00    +0.163 C 
BRANCH  25  27
ATOM     26  C   LIG    1        7.304  -0.161   1.027  0.00  0.00    +0.193 C 
ATOM     27  O   LIG    1        6.329  -1.081   1.495  0.00  0.00    -0.383 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  O   LIG    1        0.745   2.106   1.275  0.00  0.00    -0.492 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -0.494   2.792   1.080  0.00  0.00    +0.231 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.490   3.595  -0.221  0.00  0.00    +0.069 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.576   4.686  -0.223  0.00  0.00    +0.163 C 
BRANCH  31  32
ATOM     32  O   LIG    1        0.234   5.674   0.749  0.00  0.00    -0.383 OA
ATOM     33  C   LIG    1        1.224   6.691   0.831  0.00  0.00    +0.193 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 14