REMARK  Name = BDB004043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.606   0.038  -0.656  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.372   0.191  -0.147  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.665   0.303  -0.998  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -0.488   0.223  -2.360  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.801   0.061  -2.795  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.855  -0.024  -1.969  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.620  -0.052   0.294  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        2.206   0.016   1.212  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.822  -0.534   0.238  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        6.124  -0.424   1.442  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        4.732  -0.265   1.431  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.007  -0.213   0.229  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.725  -0.325  -0.966  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.117  -0.484  -0.967  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1        8.970  -0.806  -0.818  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        8.294  -0.703   0.190  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.856  -0.737   1.411  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        9.811  -0.851   1.224  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -1.920   0.443  -0.405  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -1.833   0.366   0.605  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.124   1.064  -0.805  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -4.336   0.731  -0.142  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -5.537   1.333  -0.566  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -5.557   2.243  -1.621  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.372   2.570  -2.268  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.170   1.984  -1.865  0.00  0.00    +0.024 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.382  -0.229   0.977  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -4.706   0.199   2.275  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -4.748  -0.707   3.338  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.467  -2.053   3.118  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.145  -2.496   1.837  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.104  -1.590   0.774  0.00  0.00    +0.008 A 
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7