REMARK  Name = BDB004659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.895  -0.923   1.934  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.524  -0.878   1.604  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.014   0.337   1.108  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.362   0.368   0.795  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.151  -0.707   0.940  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.574  -1.814   1.402  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.872   1.452   0.931  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -3.219   1.385   1.258  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -0.711  -1.949   1.750  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -3.728   0.200   1.763  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -2.828  -3.276   2.648  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -1.843  -3.295   2.402  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -3.275  -4.106   3.009  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.568  -2.144   2.481  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -4.758  -2.143   2.778  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.932   1.572   0.326  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.792   2.282   1.039  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.329   1.517  -0.093  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.453   1.013  -1.512  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        1.906   1.745  -2.577  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1        2.029   1.274  -3.880  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1        1.504   1.983  -4.889  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        2.688   0.082  -4.153  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        3.231  -0.657  -3.104  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.113  -0.194  -1.790  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4