REMARK  Name = BDB057983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.612  -1.250  -0.275  0.00  0.00    -0.038 A 
ATOM      2  C   LIG    1       -2.801   0.118  -0.011  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.679   0.960   0.132  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.356   0.488   0.004  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.829   1.462   0.176  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1        2.138   0.731  -0.007  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.303  -0.611  -0.284  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.174  -1.505  -0.436  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1        1.300  -2.700  -0.683  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        3.702  -0.865  -0.372  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.354   0.348  -0.143  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.751   0.470  -0.154  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        6.505  -0.685  -0.409  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        5.877  -1.911  -0.642  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        4.480  -2.013  -0.626  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.383   1.300   0.077  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1        3.573   2.274   0.272  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        0.795   2.074   1.593  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        0.734   2.585  -0.880  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -0.180  -0.886  -0.275  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.296  -1.732  -0.405  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2  22
ATOM     22  C   LIG    1       -4.121   0.727   0.133  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1       -4.464   1.387   1.250  0.00  0.00    -0.174 NA
ATOM     24  N   LIG    1       -5.719   1.804   1.022  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1       -6.195   2.318   1.756  0.00  0.00    +0.188 HD
ATOM     26  C   LIG    1       -6.185   1.475  -0.214  0.00  0.00    +0.105 A 
ATOM     27  C   LIG    1       -5.169   0.782  -0.824  0.00  0.00    +0.049 A 
ENDBRANCH   2  22
BRANCH   1  29
ATOM     28  C   LIG    1       -4.225  -2.689   1.018  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -3.744  -2.251  -0.358  0.00  0.00    +0.032 C 
ENDBRANCH   1  29
BRANCH  13  30
ATOM     30  C   LIG    1        7.937  -0.602  -0.430  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        9.095  -0.526  -0.446  0.00  0.00    -0.191 NA
ENDBRANCH  13  30
TORSDOF 3