REMARK  Name = BDB004021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.109   0.356   0.652  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.035   0.753   0.067  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.177   0.134   0.415  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.233  -0.842   1.329  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.081  -1.197   1.918  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -1.127  -0.625   1.617  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.262   1.046   0.262  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1       -1.994   1.770  -0.400  0.00  0.00    +0.154 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -6.316  -0.061  -0.149  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -5.344  -1.058  -0.048  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.994  -0.710   0.075  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.596   0.632   0.108  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.590   1.621   0.023  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.942   1.284  -0.100  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -8.215  -1.399   0.347  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -7.735  -0.465  -0.270  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -8.421   0.278  -1.163  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.870   0.871  -1.708  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        2.314   0.594  -0.244  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        2.042   1.323  -0.886  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.658   0.208  -0.248  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        4.164  -0.870   0.487  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        5.525  -1.197   0.459  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        6.410  -0.428  -0.297  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        5.931   0.646  -1.048  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        4.567   0.960  -1.014  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.843  -0.794  -0.304  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        8.241  -1.943  -0.370  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        8.655   0.278  -0.189  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.194   1.109   0.035  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8