REMARK  Name = BDB008102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.988  -0.747  -0.758  0.00  0.00    -0.422 OA
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1        4.411   2.278  -0.156  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1        4.037   1.113  -0.177  0.00  0.00    +0.262 A 
ATOM      4  C   LIG    1        4.966  -0.007   0.030  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        4.443  -1.294  -0.060  0.00  0.00    +0.100 A 
ATOM      6  C   LIG    1        5.342  -2.332   0.134  0.00  0.00    +0.139 A 
ATOM      7  N   LIG    1        6.663  -2.164   0.400  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        7.118  -0.894   0.475  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1        3.089  -1.550  -0.332  0.00  0.00    -0.194 NA
ATOM     10  C   LIG    1        2.303  -0.534  -0.469  0.00  0.00    +0.304 A 
ATOM     11  C   LIG    1        6.316   0.216   0.298  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1        2.731   0.766  -0.400  0.00  0.00    -0.276 N 
ATOM     13  H   LIG    1        2.093   1.525  -0.590  0.00  0.00    +0.173 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.045   0.069  -0.247  0.00  0.00    +0.169 A 
ATOM     15  C   LIG    1       -1.144   0.329  -0.878  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1       -1.836   1.154  -0.032  0.00  0.00    -0.263 N 
ATOM     17  N   LIG    1       -1.150   1.459   1.094  0.00  0.00    -0.176 NA
ATOM     18  C   LIG    1       -0.022   0.751   0.982  0.00  0.00    +0.180 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.154   1.733  -0.266  0.00  0.00    +0.178 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.250   0.710  -0.111  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -4.994   0.284  -1.222  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -6.008  -0.664  -1.072  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.290  -1.194   0.185  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.559  -0.778   1.296  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.545   0.169   1.150  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  14
TORSDOF 4