REMARK  Name = BDB000227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.735   0.478  -0.056  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.310  -0.362   0.063  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.541   0.156   0.209  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.784   1.472   0.223  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.730   2.288   0.071  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.558   1.841  -0.075  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.979  -0.132  -0.212  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1       -1.863  -1.142  -0.316  0.00  0.00    +0.154 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -4.388  -0.485  -0.501  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1       -3.310   0.229   0.074  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -3.624   1.340   0.873  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.947   1.741   1.086  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.993   1.043   0.496  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.716  -0.068  -0.295  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -5.032  -2.126  -2.143  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -4.216  -1.694  -1.350  0.00  0.00    +0.339 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.063  -2.353  -1.121  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -3.121  -3.124  -1.727  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.557  -0.785   0.347  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        2.151  -1.708   0.313  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.943  -0.709   0.517  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        4.671  -1.906   0.630  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.059  -1.904   0.802  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.748  -0.698   0.864  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.048   0.499   0.754  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.659   0.490   0.583  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6