REMARK  Name = BDB062942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.560  -1.212   0.555  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.143  -1.014  -0.625  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        1.551  -0.589  -0.589  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.883  -0.256  -2.051  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.526  -0.061  -2.714  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.366  -1.044  -1.979  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.010  -0.971   1.640  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.051  -1.756   0.458  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.449  -2.714   1.661  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.211  -3.583   0.650  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -2.267  -3.038  -0.432  0.00  0.00    +0.021 C 
BRANCH   8  15
ATOM     12  C   LIG    1       -4.761   1.799   0.067  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -3.871   1.693   1.129  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -3.034   0.573   1.234  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.042  -0.478   0.291  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1       -3.962  -0.338  -0.765  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -4.803   0.777  -0.877  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.622   3.893   0.784  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -5.631   2.829  -0.159  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.443  -1.750  -0.098  0.00  0.00    +0.239 C 
ATOM     21  N   LIG    1        3.709  -1.537   0.365  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        4.143  -2.396   0.671  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1        2.072  -2.930  -0.163  0.00  0.00    -0.273 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.440  -0.355   0.497  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1        3.929   0.807   0.063  0.00  0.00    -0.229 NA
ATOM     26  C   LIG    1        4.714   1.895   0.232  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        5.975   1.845   0.803  0.00  0.00    +0.084 A 
ATOM     28  N   LIG    1        6.428   3.136   0.788  0.00  0.00    -0.275 N 
ATOM     29  H   LIG    1        7.315   3.488   1.129  0.00  0.00    +0.189 HD
ATOM     30  N   LIG    1        5.561   4.016   0.247  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1        6.522   0.649   1.250  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1        4.514   3.252  -0.087  0.00  0.00    +0.162 A 
ATOM     33  C   LIG    1        5.707  -0.473   1.079  0.00  0.00    +0.046 A 
ENDBRANCH  21  24
ENDBRANCH   3  20
TORSDOF 5