REMARK  Name = BDB054488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.977  -1.832  -0.142  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -1.774  -1.413  -0.764  0.00  0.00    +0.106 A 
ATOM      3 CL   LIG    1       -1.063  -2.451  -1.955  0.00  0.00    -0.078 Cl
ATOM      4  C   LIG    1       -1.213  -0.152  -0.417  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.868   0.674   0.501  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.136   1.892   0.609  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.034   1.819  -0.249  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1        0.828   2.931  -0.406  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        1.993   3.059  -1.338  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        0.582   4.043   0.348  0.00  0.00    -0.258 NA
ATOM     11  C   LIG    1       -0.463   4.088   1.190  0.00  0.00    +0.112 A 
ATOM     12  C   LIG    1       -1.359   3.057   1.358  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -3.061   0.234   1.111  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1       -0.043   0.525  -0.774  0.00  0.00    -0.337 N 
ATOM     15  C   LIG    1       -3.601  -1.012   0.792  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -4.679  -3.510   0.063  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.461  -3.064  -0.516  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH  14  18
ATOM     18  C   LIG    1        1.059  -0.079  -1.512  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.885  -1.080  -0.694  0.00  0.00    +0.023 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.674  -0.423   0.446  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.505  -1.427   1.247  0.00  0.00    +0.078 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.561  -2.018   0.434  0.00  0.00    -0.330 NA
ATOM     23  H   LIG    1        5.215  -1.293   0.142  0.00  0.00    +0.118 HD
ATOM     24  H   LIG    1        5.099  -2.670   1.005  0.00  0.00    +0.118 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  14  18
TORSDOF 6