REMARK  Name = BDB002251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.281   0.228   0.964  0.00  0.00    -0.095 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.440   0.594   0.707  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1        2.215  -0.299   0.058  0.00  0.00    -0.142 NA
ATOM      4  N   LIG    1        3.546  -0.030  -0.165  0.00  0.00    -0.145 NA
ATOM      5  C   LIG    1        4.083   1.135   0.264  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        3.310   2.073   0.928  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.962   1.797   1.152  0.00  0.00    +0.039 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.495   1.313  -0.025  0.00  0.00    +0.155 A 
ATOM      9  O   LIG    1        6.069   2.484   0.392  0.00  0.00    -0.461 OA
ATOM     10  C   LIG    1        7.376   2.446   0.025  0.00  0.00    +0.196 A 
ATOM     11  C   LIG    1        7.660   1.268  -0.625  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        6.448   0.537  -0.658  0.00  0.00    +0.051 A 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.297  -1.545   0.528  0.00  0.00    +0.171 C 
BRANCH  13  15
ATOM     14  O   LIG    1       -1.939  -3.035   1.477  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -1.696  -2.107   0.709  0.00  0.00    +0.223 C 
ATOM     16  N   LIG    1       -2.654  -1.520  -0.098  0.00  0.00    -0.312 N 
ATOM     17  H   LIG    1       -2.418  -0.614  -0.486  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.061  -1.862   0.035  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1       -4.720  -1.125   1.199  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -5.021   0.265   0.648  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -5.172   0.095  -0.864  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.867  -1.372  -1.164  0.00  0.00    +0.022 C 
ENDBRANCH  16  18
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5