REMARK  Name = BDB004681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.494   0.397  -0.778  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        2.285  -0.319  -0.087  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.860   0.320  -1.126  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        4.838   0.377  -0.111  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        6.182   0.281  -0.522  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        7.174   0.320   0.480  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        6.838   0.459   1.841  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        5.514   0.570   2.233  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        6.486   0.160  -1.835  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        5.478   0.148  -2.715  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        4.522   0.532   1.263  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        4.181   0.223  -2.425  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        8.639   0.218   0.188  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        9.475   0.229   1.086  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        9.040   0.110  -1.110  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       10.025   0.031  -1.314  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        8.361   0.084  -1.865  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        1.564   0.315  -1.898  0.00  0.00    +0.138 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -2.472   0.473  -0.324  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -1.956  -0.722  -0.826  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -0.653  -0.775  -1.337  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.153   0.369  -1.358  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -0.364   1.565  -0.844  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.664   1.616  -0.334  0.00  0.00    +0.024 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.739  -0.347   0.328  0.00  0.00    +0.405 C 
ATOM     26  N   LIG    1       -3.767   0.605   0.201  0.00  0.00    -0.251 N 
ATOM     27  H   LIG    1       -4.054   1.514   0.536  0.00  0.00    +0.158 HD
ATOM     28  O   LIG    1       -4.677  -1.524   0.014  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -5.825   0.251   0.881  0.00  0.00    -0.444 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -7.655  -1.036  -0.156  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -7.039  -0.502   1.142  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -6.797  -1.617   2.165  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -8.006   0.523   1.756  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7