REMARK  Name = BDB063809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.066  -1.097   0.528  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        0.059  -2.284  -0.107  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.175  -2.671  -0.729  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        2.338  -1.895  -0.751  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        3.492  -2.388  -1.413  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        3.476  -3.624  -2.056  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.313  -4.381  -2.042  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.251  -0.663  -0.083  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1        1.181  -3.899  -1.380  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.136  -0.279   0.556  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.203  -0.655   1.264  0.00  0.00    +0.055 C 
ATOM     12  C   LIG    1       -1.780  -1.600   2.318  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -1.085  -0.353   2.759  0.00  0.00    +0.020 C 
BRANCH  11  17
ATOM     14  C   LIG    1       -3.987   1.731  -1.106  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1       -4.075   0.339  -1.094  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -3.184  -0.425  -0.334  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -2.181   0.179   0.441  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -2.102   1.581   0.406  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -2.993   2.352  -0.353  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.871   3.779  -1.925  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.917   2.358  -1.888  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   8  22
ATOM     22  N   LIG    1        3.376   0.196  -0.068  0.00  0.00    -0.327 N 
ATOM     23  H   LIG    1        3.645   0.363  -1.035  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.210   1.457   0.659  0.00  0.00    +0.118 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.358   1.270   2.183  0.00  0.00    +0.096 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.295   2.535   2.927  0.00  0.00    -0.329 NA
ATOM     27  H   LIG    1        2.391   2.975   2.757  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1        4.001   3.177   2.571  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 7