REMARK  Name = BDB012686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546  -0.156  -0.171  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        0.129  -0.998  -1.108  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.189  -1.563  -0.403  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.095  -2.460  -0.988  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        1.905  -2.784  -2.335  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        0.852  -2.231  -3.059  0.00  0.00    +0.042 A 
ATOM      7 CL   LIG    1        0.648  -2.653  -4.717  0.00  0.00    -0.084 Cl
ATOM      8  N   LIG    1        1.086  -1.039   0.862  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -0.046  -1.338  -2.466  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.048  -0.198   1.022  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -1.642   0.562  -0.516  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -1.973   0.480  -1.479  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1       -3.575   2.091  -0.373  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -2.463   1.451   0.215  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -2.244   1.762   1.559  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.002   2.608   2.308  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -4.048   3.191   1.701  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -4.372   2.968   0.379  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -4.956   2.451  -2.313  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -3.998   1.912  -1.788  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.223   1.073  -2.504  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -3.654   1.088  -3.389  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1        1.959  -1.304   1.999  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.033  -0.266   2.130  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        4.269  -0.553   2.946  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.371  -0.428   1.451  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6