REMARK  Name = BDB039006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.911  -0.425   0.590  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.890  -0.454  -0.343  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.618   0.149   0.040  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.468  -0.175  -0.880  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.648  -0.920  -2.069  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.562  -1.202  -2.909  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.273  -0.751  -2.613  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.106  -0.017  -1.434  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.999   0.540  -0.810  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.542   1.292   0.258  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        0.748   1.080   0.441  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.016  -1.458  -2.412  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.169   0.291  -0.595  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.128  -0.632  -1.770  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.767  -0.068   1.753  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.318   2.272   1.103  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -2.389   1.632   1.991  0.00  0.00    +0.171 C 
ATOM     18  O   LIG    1       -3.695   1.835   1.446  0.00  0.00    -0.379 OA
ATOM     19  C   LIG    1       -4.087   3.209   1.438  0.00  0.00    +0.160 C 
ATOM     20  C   LIG    1       -2.953   4.166   1.070  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -1.856   3.457   0.288  0.00  0.00    +0.016 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.178  -0.833   1.014  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.101  -0.843   0.077  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.365   0.373  -1.284  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.882  -1.081  -1.246  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.015  -1.635   0.165  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -1.998  -2.449   0.689  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -2.106  -2.979   1.975  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.227  -2.703   2.753  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.237  -1.887   2.251  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.131  -1.351   0.966  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -4.168  -1.177  -2.059  0.00  0.00    +0.314 C 
ATOM     33  O   LIG    1       -4.590  -0.291  -2.789  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -4.795  -2.375  -1.974  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -4.387  -2.997  -1.337  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7