REMARK  Name = BDB001786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.010   1.839   0.092  0.00  0.00    +0.324 A 
ATOM      2  C   LIG    1       -1.351   1.650   0.207  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1       -1.985   2.879   0.182  0.00  0.00    -0.201 NA
ATOM      4  C   LIG    1       -0.996   3.757   0.102  0.00  0.00    +0.267 A 
ATOM      5  O   LIG    1        0.251   3.180   0.068  0.00  0.00    -0.401 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.198   5.177   0.065  0.00  0.00    +0.189 A 
ATOM      7  O   LIG    1       -0.165   6.081   0.001  0.00  0.00    -0.458 OA
ATOM      8  C   LIG    1       -0.704   7.325  -0.020  0.00  0.00    +0.196 A 
ATOM      9  C   LIG    1       -2.074   7.258   0.030  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -2.393   5.879   0.084  0.00  0.00    +0.055 A 
ENDBRANCH   4   6
BRANCH   2  11
ATOM     11  C   LIG    1       -2.068   0.409   0.351  0.00  0.00    +0.146 C 
ATOM     12  N   LIG    1       -1.432  -0.664   0.697  0.00  0.00    -0.253 NA
BRANCH  12  13
ATOM     13  C   LIG    1       -2.203  -1.827   0.785  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -2.354  -2.651  -0.335  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -3.107  -3.825  -0.253  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -3.700  -4.179   0.958  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -4.627  -5.625   1.064  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -3.543  -3.373   2.085  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -2.789  -2.200   1.997  0.00  0.00    +0.029 A 
ENDBRANCH  12  13
ENDBRANCH   2  11
BRANCH   1  20
ATOM     20  O   LIG    1        1.094   1.087   0.040  0.00  0.00    -0.387 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.048   0.156  -0.943  0.00  0.00    +0.347 C 
ATOM     22  O   LIG    1        0.240   0.079  -1.859  0.00  0.00    -0.244 OA
BRANCH  21  27
ATOM     23  C   LIG    1        5.439  -3.621  -0.537  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        4.293  -2.655  -0.615  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        3.408  -2.693  -1.698  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        2.358  -1.774  -1.786  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        2.187  -0.795  -0.798  0.00  0.00    +0.060 A 
ATOM     28  C   LIG    1        3.080  -0.749   0.281  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        4.129  -1.670   0.366  0.00  0.00    +0.004 A 
ENDBRANCH  21  27
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6