REMARK  Name = BDB063594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.206   2.031   1.010  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.782   0.675   0.524  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        2.416   0.023  -0.547  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.911  -1.192  -1.038  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        2.470  -1.863  -2.260  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.856  -1.817  -0.356  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.269  -1.226   0.769  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1        0.728   0.028   1.188  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1        3.470   0.633  -1.177  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1        4.776   0.238  -0.722  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1        5.564  -0.184  -1.978  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        5.473   1.504  -0.186  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1        4.918  -0.901   0.325  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1        5.163  -2.077   0.096  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.726  -0.504   1.601  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        4.770  -1.337   2.114  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1       -0.887  -1.896   1.475  0.00  0.00    +0.153 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.156  -1.471   0.934  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1       -2.874  -0.400   1.399  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1       -2.535   0.286   2.352  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1       -4.025  -0.271   0.603  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1       -4.048  -1.293  -0.419  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1       -2.777  -2.055  -0.126  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1       -2.397  -3.036  -0.750  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1       -5.053   0.704   0.722  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -6.144   0.698  -0.163  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -7.168   1.647  -0.063  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -7.120   2.623   0.925  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.049   2.648   1.811  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.026   1.697   1.709  0.00  0.00    +0.023 A 
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7