REMARK  Name = BDB003225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.106  -0.933  -0.746  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -0.683  -1.737  -0.028  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -1.929  -1.319   0.222  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.416  -0.156  -0.236  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.637   0.630  -0.997  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.338   0.264  -1.266  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.739  -2.108   0.997  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -4.176  -1.903   1.024  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -4.737  -3.294   1.334  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -3.591  -3.994   2.052  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -2.362  -3.471   1.314  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  12
ATOM     12  N   LIG    1       -2.158   1.824  -1.462  0.00  0.00    -0.315 N 
ATOM     13  C   LIG    1       -1.744   2.410  -2.734  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -2.994   3.124  -3.251  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.804   3.392  -1.993  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -3.555   2.133  -1.169  0.00  0.00    +0.106 C 
ENDBRANCH   5  12
BRANCH   1  17
ATOM     17  N   LIG    1        1.428  -1.384  -0.990  0.00  0.00    -0.248 N 
ATOM     18  H   LIG    1        1.485  -2.269  -0.461  0.00  0.00    +0.172 HD
BRANCH  17  21
ATOM     19  O   LIG    1        3.208  -2.118   0.900  0.00  0.00    -0.269 OA
ATOM     20  C   LIG    1        3.294  -0.987   0.430  0.00  0.00    +0.260 C 
ATOM     21  N   LIG    1        2.393  -0.473  -0.489  0.00  0.00    -0.231 N 
ATOM     22  H   LIG    1        2.675   0.255  -1.137  0.00  0.00    +0.173 HD
BRANCH  20  23
ATOM     23  C   LIG    1        4.432  -0.100   0.800  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        4.335   1.297   0.733  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        5.426   2.095   1.098  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        6.612   1.490   1.539  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        6.712   0.096   1.623  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        5.617  -0.695   1.258  0.00  0.00    +0.015 A 
BRANCH  26  29
ATOM     29  N   LIG    1        7.758   2.327   1.921  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1        8.780   1.756   2.324  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        7.633   3.555   1.811  0.00  0.00    -0.126 OA
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6