REMARK  Name = BDB003791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.660   0.102  -0.722  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.486  -0.496  -0.464  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.483  -0.448  -1.393  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -0.283   0.190  -2.601  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.947   0.766  -2.789  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.924   0.737  -1.871  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.595   0.009   0.305  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        2.168  -0.484   1.077  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.522   1.400   0.984  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        5.871   1.746  -0.202  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        4.567   1.292  -0.440  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.887   0.506   0.497  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.557   0.185   1.691  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.859   0.631   1.940  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1        8.267   2.227   2.371  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        7.901   1.854   1.271  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.718   1.764   0.199  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.333   1.290  -0.562  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       -1.751  -1.053  -1.180  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -2.458  -0.352  -1.378  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.159  -1.903  -0.119  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1       -3.529  -2.026   0.223  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -3.912  -2.915   1.250  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -2.971  -3.699   1.911  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.635  -3.621   1.543  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -1.240  -2.744   0.530  0.00  0.00    +0.023 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.632  -1.260  -0.488  0.00  0.00    +0.072 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.601   0.248  -0.344  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1       -4.966   1.053  -1.435  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.957   2.445  -1.327  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.593   3.048  -0.126  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.248   2.261   0.971  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.260   0.869   0.866  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8