REMARK  Name = BDB031666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.934  -1.674  -0.644  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -3.511  -1.215  -0.462  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -3.143   0.146  -0.294  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.787   0.474  -0.133  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1       -1.725   1.848  -0.003  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1       -0.874   2.378   0.113  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -2.974   2.400  -0.064  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.756  -0.489  -0.127  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -1.147  -1.820  -0.292  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -3.874   1.375  -0.244  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -2.485  -2.175  -0.456  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.584  -0.084   0.058  0.00  0.00    -0.280 N 
ATOM     13  H   LIG    1        0.737   0.903   0.192  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        1.713  -0.880  -0.012  0.00  0.00    +0.248 C 
ATOM     15  O   LIG    1        1.772  -2.060  -0.331  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.991  -0.181   0.297  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        4.133  -0.525  -0.437  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        5.352   0.106  -0.169  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        5.427   1.074   0.840  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1        4.292   1.404   1.585  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.075   0.775   1.319  0.00  0.00    +0.013 A 
BRANCH  18  22
ATOM     22  C   LIG    1        6.522  -0.235  -0.924  0.00  0.00    +0.099 C 
ATOM     23  N   LIG    1        7.473  -0.498  -1.534  0.00  0.00    -0.191 NA
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   8  12
BRANCH  10  24
ATOM     24  C   LIG    1       -5.288   1.561  -0.358  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -6.434   1.721  -0.448  0.00  0.00    -0.191 NA
ENDBRANCH  10  24
TORSDOF 4