REMARK  Name = BDB011168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.610   2.654   0.671  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.411   2.225   0.063  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -1.925   2.907  -0.993  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -0.727   2.565  -1.502  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.002   1.476  -1.065  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.539   0.660  -0.085  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.127  -0.591   0.140  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.460  -0.791  -0.267  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        2.002  -1.889  -0.107  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.093   0.271  -0.929  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        1.338   1.231  -1.598  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        1.686   1.929  -2.546  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.720   1.104   0.592  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.207   0.556   1.805  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.382   1.000   2.405  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.098   2.035   1.825  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.529   0.179  -1.141  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.173   0.663  -2.291  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        5.563   0.579  -2.430  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        6.315   1.166  -3.864  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        6.348   0.020  -1.428  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.738  -0.460  -0.276  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.348  -0.377  -0.137  0.00  0.00    +0.026 A 
ENDBRANCH  10  17
BRANCH   7  24
ATOM     24  C   LIG    1       -0.681  -1.799   0.437  0.00  0.00    +0.092 C 
ATOM     25  C   LIG    1       -0.705  -2.841  -0.711  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1       -0.258  -4.161  -0.090  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -0.603  -4.022   1.382  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -0.249  -2.576   1.694  0.00  0.00    +0.025 C 
ENDBRANCH   7  24
BRANCH   1  30
ATOM     29  C   LIG    1       -5.449   4.199   0.626  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.238   3.720   0.060  0.00  0.00    -0.493 OA
ENDBRANCH   1  30
TORSDOF 3