REMARK  Name = BDB056164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.245   0.979  -0.949  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.127   1.804  -2.161  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.315   2.370  -2.290  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.422   1.501  -1.806  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.951   0.096  -1.783  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.310  -0.173  -0.920  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.107  -0.018   0.494  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.067   0.231   1.391  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.794   0.564   0.916  0.00  0.00    +0.063 A 
ATOM     10 CL   LIG    1        1.577   0.901   2.105  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1        2.527   0.666  -0.470  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        3.599   0.433  -1.349  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.875   0.097  -0.878  0.00  0.00    +0.015 A 
BRANCH   7  16
ATOM     14  N   LIG    1        7.247  -1.160   0.245  0.00  0.00    -0.312 N 
ATOM     15  H   LIG    1        6.843  -1.617  -0.560  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.446  -0.367   1.042  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        6.771   0.021   2.158  0.00  0.00    -0.270 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.390  -2.882   1.572  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        8.532  -1.639   0.712  0.00  0.00    +0.101 C 
ENDBRANCH  14  19
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -1.852   1.954  -0.465  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.046   1.193   0.077  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1       -4.247   1.143  -0.648  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -5.343   0.448  -0.140  0.00  0.00    +0.076 A 
ATOM     24  N   LIG    1       -6.516   0.365  -0.890  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1       -6.553   0.708  -1.840  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1       -7.632  -0.263  -0.404  0.00  0.00    +0.258 C 
ATOM     27  C   LIG    1       -7.556  -0.624   1.090  0.00  0.00    +0.256 C 
ATOM     28  O   LIG    1       -6.274  -0.951   1.621  0.00  0.00    -0.478 OA
ATOM     29  C   LIG    1       -8.489  -1.789   1.401  0.00  0.00    +0.062 C 
ATOM     30  O   LIG    1       -8.625  -0.427  -1.109  0.00  0.00    -0.271 OA
ATOM     31  C   LIG    1       -5.255  -0.205   1.092  0.00  0.00    +0.143 A 
ATOM     32  C   LIG    1       -4.065  -0.169   1.814  0.00  0.00    +0.048 A 
ATOM     33  C   LIG    1       -2.966   0.534   1.314  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5