REMARK  Name = BDB007278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.734   0.017  -1.036  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.433  -0.218  -0.570  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -0.798  -1.421  -0.867  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -1.394  -2.375  -1.598  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -2.648  -2.146  -2.039  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -3.350  -0.983  -1.789  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.539   1.355   0.121  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -3.423   1.286  -0.747  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -2.960   2.469  -1.357  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.585   3.690  -1.114  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -4.676   3.736  -0.259  0.00  0.00    +0.127 A 
ATOM     12  F   LIG    1       -5.277   4.909  -0.023  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -5.159   2.587   0.359  0.00  0.00    +0.084 A 
BRANCH   7  15
ATOM     14  C   LIG    1       -6.064   0.197   1.556  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -4.934   0.171   0.692  0.00  0.00    -0.494 OA
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1        0.499  -1.603  -0.365  0.00  0.00    -0.270 N 
ATOM     17  H   LIG    1        0.868  -0.852   0.195  0.00  0.00    +0.156 HD
ATOM     18  C   LIG    1        1.293  -2.714  -0.569  0.00  0.00    +0.221 C 
ATOM     19  O   LIG    1        1.015  -3.706  -1.237  0.00  0.00    -0.275 OA
BRANCH  18  20
ATOM     20  C   LIG    1        2.651  -2.640   0.129  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1        3.532  -1.495  -0.389  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1        4.228  -0.948   0.857  0.00  0.00    +0.074 C 
ATOM     23  C   LIG    1        3.161  -1.084   1.936  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        2.539  -2.445   1.649  0.00  0.00    +0.014 C 
BRANCH  22  25
ATOM     25  N   LIG    1        4.685   0.415   0.697  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1        4.053   1.176   0.904  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        5.845   0.697   0.009  0.00  0.00    +0.210 C 
ATOM     28  O   LIG    1        6.585  -0.161  -0.460  0.00  0.00    -0.276 OA
ATOM     29  C   LIG    1        6.130   2.167  -0.142  0.00  0.00    +0.109 C 
ENDBRANCH  22  25
ENDBRANCH  18  20
ENDBRANCH   3  16
TORSDOF 5