REMARK  Name = BDB007787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.408  -1.958   1.870  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.723   0.349   2.810  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.206  -0.262   1.863  0.00  0.00    +0.246 C 
ATOM      4  N   LIG    1        1.666  -1.429   1.365  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        1.927  -1.736   0.436  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.404   0.268   1.172  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        4.269  -0.521   0.413  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        5.384   0.066  -0.206  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.596   1.451  -0.028  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        6.697   2.031  -0.642  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        7.587   1.281  -1.416  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        7.378  -0.083  -1.586  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1        4.773   2.214   0.712  0.00  0.00    -0.254 NA
ATOM     14  C   LIG    1        6.279  -0.692  -0.982  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.706   1.615   1.299  0.00  0.00    +0.124 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.773  -1.667   0.924  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.464  -2.243  -0.358  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.591  -3.204  -0.277  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.054  -0.149   0.790  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.309   0.274   0.138  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.503  -0.031   0.939  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.801   0.364   0.262  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.856   0.579  -1.127  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.074   0.914  -1.732  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.237   1.010  -0.968  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.191   0.778   0.405  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.592   0.517  -1.948  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.980   0.454   1.018  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.461  -0.232  -1.230  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6