REMARK  Name = BDB052521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.585  -0.806  -1.176  0.00  0.00    -0.283 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.015  -0.272   0.067  0.00  0.00    +0.120 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -3.276   0.325  -0.128  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -2.736  -0.612   0.748  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.350  -0.805   0.815  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -0.483  -0.066  -0.001  0.00  0.00    -0.033 A 
ATOM      7  C   LIG    1       -1.030   0.865  -0.891  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.413   1.053  -0.953  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -4.594   0.621  -0.307  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -6.903   0.806   0.029  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.608   0.212   0.617  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.386   0.852   1.998  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.861  -1.306   0.692  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -5.504  -2.158  -0.107  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.599  -1.682   1.760  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.697  -2.651   1.641  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.121  -2.169  -1.495  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.641  -3.251  -0.603  0.00  0.00    +0.119 A 
ATOM     19  O   LIG    1        1.015  -3.425   0.598  0.00  0.00    -0.467 OA
ATOM     20  C   LIG    1        1.635  -4.456   1.225  0.00  0.00    +0.195 A 
ATOM     21  C   LIG    1        2.656  -4.950   0.447  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        2.659  -4.175  -0.737  0.00  0.00    +0.046 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   1  23
ATOM     23  C   LIG    1        3.054  -0.703  -1.228  0.00  0.00    +0.181 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.512   0.760  -1.363  0.00  0.00    +0.232 C 
ATOM     25  N   LIG    1        4.071   1.242  -0.189  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        4.057   0.643   0.621  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        3.367   1.369  -2.418  0.00  0.00    -0.274 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.609   2.523  -0.010  0.00  0.00    +0.125 A 
ATOM     29  N   LIG    1        4.686   3.390  -1.032  0.00  0.00    -0.240 NA
ATOM     30  C   LIG    1        5.217   4.609  -0.796  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        5.691   5.014   0.438  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        5.615   4.112   1.489  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.068   2.849   1.265  0.00  0.00    +0.044 A 
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 11