REMARK  Name = BDB053364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.149  -0.185   0.482  0.00  0.00    -0.266 N 
ATOM      2  C   LIG    1       -0.107   1.111   0.042  0.00  0.00    +0.281 A 
ATOM      3  O   LIG    1        0.755   1.968  -0.150  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -1.547   1.440  -0.138  0.00  0.00    +0.167 A 
ATOM      5 CL   LIG    1       -1.953   3.041  -0.642  0.00  0.00    -0.072 Cl
ATOM      6  C   LIG    1       -2.467   0.494   0.109  0.00  0.00    +0.241 A 
ATOM      7  N   LIG    1       -2.146  -0.785   0.494  0.00  0.00    -0.201 NA
ATOM      8  C   LIG    1       -0.895  -1.062   0.652  0.00  0.00    +0.211 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        0.984  -1.573   3.030  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        1.889  -1.338   1.847  0.00  0.00    -0.026 A 
ATOM     11  C   LIG    1        1.494  -0.632   0.687  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.451  -0.379  -0.313  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        3.765  -0.847  -0.194  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        4.138  -1.586   0.929  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.207  -1.825   1.940  0.00  0.00    +0.006 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.717  -0.584  -1.306  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1        6.047  -0.470  -0.955  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1        6.260  -0.263   0.013  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        4.304  -0.460  -2.453  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        7.027  -0.015  -1.927  0.00  0.00    +0.132 C 
BRANCH  20  21
ATOM     21  C   LIG    1        7.119   1.512  -1.946  0.00  0.00    +0.174 C 
BRANCH  21  22
ATOM     22  O   LIG    1        7.638   1.982  -0.699  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1        8.588   1.778  -0.686  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  13  16
ENDBRANCH   1  11
BRANCH   6  24
ATOM     24  O   LIG    1       -3.807   0.829  -0.046  0.00  0.00    -0.470 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.733  -0.229   0.215  0.00  0.00    +0.269 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.145   0.264   0.002  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -7.196  -0.331   0.711  0.00  0.00    +0.132 A 
ATOM     28  F   LIG    1       -6.936  -1.315   1.585  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -8.516   0.064   0.528  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -8.794   1.067  -0.388  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1      -10.062   1.457  -0.574  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.778   1.670  -1.123  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -6.454   1.265  -0.934  0.00  0.00    +0.012 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 8