REMARK  Name = BDB003789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.476   0.048   0.467  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.675   0.742   0.511  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.796   0.094   0.877  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.780  -1.232   1.242  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.565  -1.862   1.174  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.564  -1.249   0.785  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.585   0.786   0.060  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.291   1.733  -0.127  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        5.703   0.025  -0.537  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        4.868  -1.007  -0.103  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        3.501  -0.770   0.099  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.939   0.491  -0.123  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.794   1.517  -0.560  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.160   1.291  -0.765  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1        7.939   0.677  -1.142  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        7.154  -0.174  -0.766  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        7.557  -1.431  -0.512  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        8.518  -1.413  -0.704  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       -2.961   0.868   0.925  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1       -2.725   1.824   0.676  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.299   0.553   0.621  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -5.302   1.427   1.066  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -6.652   1.165   0.816  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -7.019   0.022   0.113  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.036  -0.855  -0.340  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.687  -0.591  -0.085  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6