REMARK  Name = BDB057887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.252  -0.784  -0.694  0.00  0.00    -0.245 N 
ATOM      2  N   LIG    1       -0.222  -2.085  -0.375  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.010  -2.365   0.029  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1        1.774  -1.227  -0.078  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        0.980  -0.206  -0.561  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.276   1.172   0.095  0.00  0.00    +0.215 C 
ATOM      7  N   LIG    1       -3.184   0.663  -0.560  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1       -1.819   1.164  -0.498  0.00  0.00    +0.136 C 
ATOM      9  C   LIG    1       -1.429  -0.117  -1.255  0.00  0.00    +0.143 C 
ATOM     10  C   LIG    1       -2.767  -0.715  -0.779  0.00  0.00    +0.136 C 
ATOM     11  O   LIG    1       -4.287   2.311   0.556  0.00  0.00    -0.276 OA
BRANCH   6  13
ATOM     12  C   LIG    1       -6.670   0.870   0.830  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -5.454   0.220   0.193  0.00  0.00    +0.092 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  C   LIG    1        3.189  -1.164   0.264  0.00  0.00    +0.093 A 
ATOM     15  N   LIG    1        3.752  -2.332   0.660  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        5.060  -2.333   0.990  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        5.857  -1.208   0.946  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        5.269  -0.013   0.538  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        3.916   0.017   0.191  0.00  0.00    +0.045 A 
BRANCH  18  20
ATOM     20  C   LIG    1        6.117   1.199   0.488  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        7.297   1.254   0.775  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.442   2.288   0.080  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        6.115   3.002   0.097  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   4  14
TORSDOF 5