REMARK  Name = BDB001800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.328  -1.991   0.559  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.336  -1.084   0.253  0.00  0.00    -0.162 N 
ATOM      3  C   LIG    1       -2.730  -1.275   0.287  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -3.130  -2.415   0.540  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -0.783   0.077  -0.175  0.00  0.00    -0.136 NA
ATOM      6  C   LIG    1        0.539  -0.175  -0.125  0.00  0.00    +0.239 A 
ATOM      7  N   LIG    1        0.837  -1.451   0.312  0.00  0.00    -0.189 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        1.550   0.832  -0.550  0.00  0.00    +0.286 C 
ATOM      9  N   LIG    1        2.898   0.618  -0.241  0.00  0.00    -0.291 N 
ATOM     10  C   LIG    1        3.413  -0.413   0.667  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1        4.801  -0.044   1.205  0.00  0.00    +0.179 C 
ATOM     12  O   LIG    1        5.771   0.191   0.178  0.00  0.00    -0.377 OA
ATOM     13  C   LIG    1        5.231   0.775  -1.016  0.00  0.00    +0.179 C 
ATOM     14  C   LIG    1        3.906   1.515  -0.804  0.00  0.00    +0.136 C 
ATOM     15  O   LIG    1        1.212   1.841  -1.176  0.00  0.00    -0.267 OA
ENDBRANCH   6   8
BRANCH   3  16
ATOM     16  C   LIG    1       -3.758  -0.228   0.015  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -3.544   1.133   0.271  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -4.554   2.067   0.012  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -5.782   1.644  -0.492  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -7.021   2.795  -0.806  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -6.014   0.293  -0.735  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -5.006  -0.641  -0.478  0.00  0.00    +0.015 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  N   LIG    1       -0.543  -3.230   1.040  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -1.480  -3.632   0.956  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        0.205  -3.909   0.944  0.00  0.00    +0.145 HD
ENDBRANCH   1  23
TORSDOF 3