REMARK  Name = BDB001978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.878   0.342  -0.945  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1        2.011   0.130  -0.184  0.00  0.00    -0.191 NA
ATOM      3  C   LIG    1        2.970   0.545  -0.979  0.00  0.00    +0.228 A 
ATOM      4  O   LIG    1        2.517   1.000  -2.180  0.00  0.00    -0.338 OA
ATOM      5  N   LIG    1        1.132   0.865  -2.156  0.00  0.00    -0.056 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.044  -0.611   0.493  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.917  -0.834   1.288  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -0.636  -0.525   0.819  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.459   0.020  -0.459  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -1.594   0.248  -1.250  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.877  -0.064  -0.777  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1       -4.227  -0.956   1.081  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -6.062   0.486   0.420  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -5.426  -0.889   0.311  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        4.435   0.589  -0.764  0.00  0.00    +0.110 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.815   0.072   0.620  0.00  0.00    +0.130 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.305   0.125   0.820  0.00  0.00    +0.305 C 
ATOM     18  O   LIG    1        7.109   0.525  -0.006  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1        6.680  -0.326   2.039  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1        5.938  -0.616   2.603  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 7