REMARK  Name = BDB022021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.739   1.362   0.844  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.919   1.154  -0.268  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        2.084   0.044  -1.210  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.739  -0.533  -1.634  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1       -0.130   0.532  -2.312  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        0.086   1.945  -1.745  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        0.693   1.940  -0.347  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        2.410   2.073   1.791  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        7.938  -1.149   1.161  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        6.578  -0.521   1.058  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        6.226   0.225  -0.075  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.975   0.839  -0.157  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.065   0.704   0.896  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.422  -0.003   2.046  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.674  -0.616   2.125  0.00  0.00    +0.004 A 
ENDBRANCH   1  13
BRANCH   5  16
ATOM     16  C   LIG    1       -1.607   0.134  -2.316  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1       -2.182   0.066  -1.061  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1       -1.583   0.239  -0.267  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -2.169  -0.092  -3.384  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.520  -0.251  -0.741  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.861  -0.278   0.618  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -5.168  -0.581   1.043  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1       -5.481  -0.596   2.514  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -6.155  -0.862   0.081  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1       -7.568  -1.191   0.474  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.809  -0.832  -1.277  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.505  -0.529  -1.684  0.00  0.00    +0.023 A 
ENDBRANCH  17  20
ENDBRANCH   5  16
TORSDOF 3