REMARK  Name = BDB053168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.451  -0.342  -0.157  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.627   0.392  -0.485  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.834  -0.202  -0.464  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.980  -1.535  -0.158  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.831  -2.211   0.159  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.383  -1.637   0.173  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.658   0.352  -0.187  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1       -1.472   1.308  -0.453  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1       -4.746  -1.552   0.749  0.00  0.00    +0.167 A 
ATOM     10  C   LIG    1       -5.703  -0.542   0.568  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -5.325   0.751   0.181  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -3.974   1.012  -0.065  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1       -2.991   0.015   0.087  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1       -3.400  -1.262   0.495  0.00  0.00    +0.073 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.262  -3.764   1.499  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -5.221  -2.774   1.154  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -7.026  -0.802   0.850  0.00  0.00    -0.488 OA
ATOM     18  C   LIG    1       -7.682  -1.283  -0.322  0.00  0.00    +0.277 C 
ENDBRANCH  10  17
BRANCH  11  19
ATOM     19  O   LIG    1       -6.337   1.668   0.052  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -5.967   3.029  -0.117  0.00  0.00    +0.277 C 
ENDBRANCH  11  19
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  21
ATOM     21  N   LIG    1        2.915   0.607  -0.831  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1        2.558   1.526  -1.080  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.239   0.648  -0.368  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        5.191   1.358  -1.102  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        6.535   1.398  -0.696  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.894   0.697   0.472  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        8.222   0.731   0.878  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        9.192   1.435   0.159  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        8.834   2.124  -0.994  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1        5.997   0.006   1.194  0.00  0.00    -0.253 NA
ATOM     31  C   LIG    1        7.509   2.107  -1.423  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        4.710  -0.003   0.767  0.00  0.00    +0.134 A 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 7