REMARK  Name = BDB013963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.120   1.213   0.620  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.404  -0.133   0.790  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.042  -1.130   1.161  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.977  -0.197   0.565  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -1.866   0.901   0.863  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.653   2.236   0.466  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.603   3.224   0.832  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.739   2.921   1.574  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.958   1.614   1.962  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.541   2.765  -0.409  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.037   0.625   1.609  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.661   1.882  -0.665  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.289   0.421  -0.349  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.574   0.996   0.697  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.901   0.738   1.619  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.824   0.277  -1.475  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.733   0.028   0.052  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.629   1.256  -0.091  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.548  -2.321  -0.554  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.270  -1.073  -0.773  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.254  -1.214  -0.555  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.506  -1.564   0.475  0.00  0.00    +0.168 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.591  -1.687  -0.543  0.00  0.00    +0.056 A 
ATOM     24  N   LIG    1       -3.670  -2.533  -0.435  0.00  0.00    -0.336 N 
ATOM     25  C   LIG    1       -3.958  -3.442   0.646  0.00  0.00    +0.150 C 
ATOM     26  C   LIG    1       -4.434  -2.384  -1.557  0.00  0.00    +0.199 A 
ATOM     27  N   LIG    1       -3.909  -1.513  -2.386  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1       -2.761  -1.082  -1.775  0.00  0.00    +0.135 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5