REMARK  Name = BDB001975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.145  -2.009   1.794  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.962  -1.235   1.287  0.00  0.00    +0.226 C 
ATOM      3  N   LIG    1        0.586  -0.049   0.669  0.00  0.00    -0.238 N 
ATOM      4  C   LIG    1        1.425   0.764  -0.095  0.00  0.00    +0.253 C 
ATOM      5  O   LIG    1        1.021   1.722  -0.752  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        2.866   0.431  -0.123  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        3.347  -0.683   0.561  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        4.722  -0.970   0.521  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        5.597  -0.154  -0.197  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.110   0.957  -0.881  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.747   1.250  -0.845  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        2.431  -1.577   1.336  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -0.838   0.288   0.673  0.00  0.00    +0.121 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.578  -0.345  -0.511  0.00  0.00    +0.054 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.044   0.004  -0.501  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1       -3.502   1.161  -1.145  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.857   1.495  -1.117  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.763   0.679  -0.442  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.316  -0.470   0.207  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.962  -0.806   0.180  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 3