REMARK  Name = BDB004661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.906  -0.711  -0.088  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.751  -0.236  -0.745  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.541  -0.250  -0.025  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.395   0.215  -0.704  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.449   0.687  -1.958  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.640   0.669  -2.552  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.515  -0.706   1.318  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.663  -1.165   1.947  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.782   0.224  -2.016  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.856  -1.172   1.243  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.378  -0.339  -2.024  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.576   0.025  -2.531  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.287  -0.354  -2.461  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.256  -0.762  -0.734  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.242  -1.175  -0.131  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.853   0.211  -0.043  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.040  -0.728   0.299  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.969   0.712  -0.834  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.223   0.641   0.010  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -4.200  -0.335  -0.236  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.352  -0.406   0.557  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1       -6.506  -1.637   0.185  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -5.533   0.499   1.608  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1       -6.927   0.469   2.628  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -4.561   1.469   1.863  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -3.413   1.538   1.071  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4