REMARK  Name = BDB001122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.786  -2.323   0.889  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1  11
ATOM      2  O   LIG    1       -1.846   2.213  -0.357  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1       -2.491   1.235   0.003  0.00  0.00    +0.259 A 
ATOM      4  C   LIG    1       -3.964   1.246   0.040  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -4.618   0.046   0.343  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1       -6.022   0.060   0.370  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -6.737   1.235   0.102  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -6.061   2.417  -0.200  0.00  0.00    +0.002 A 
ATOM      9 CL   LIG    1       -6.926  -1.370   0.732  0.00  0.00    -0.081 Cl
ATOM     10  N   LIG    1       -3.899  -1.142   0.606  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -2.609  -1.088   0.613  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1       -4.670   2.425  -0.233  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1       -1.902   0.055   0.369  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -0.890   0.000   0.271  0.00  0.00    +0.170 HD
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   LIG    1       -1.309  -3.020  -0.387  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.528  -2.141  -1.379  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.485  -1.278  -0.748  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.620  -2.054  -0.212  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        2.572  -1.137   0.577  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        2.908   0.129  -0.173  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        2.165   0.495  -1.234  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        0.989  -0.295  -1.732  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.053   0.939   0.294  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        4.255   1.173   1.661  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.347   1.924   2.106  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.256   2.446   1.189  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.074   2.217  -0.172  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.981   1.468  -0.616  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5