REMARK  Name = BDB011184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.921  -3.553  -0.172  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.704  -2.975   0.244  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -0.948  -3.609   1.167  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.259  -3.107   1.489  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        0.734  -1.918   0.983  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.071  -1.167   0.144  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.379   0.172  -0.124  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.740   0.518   0.050  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        2.104   1.692  -0.052  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.600  -0.526   0.408  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        2.089  -1.466   1.292  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        2.633  -1.947   2.281  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.282  -1.750  -0.335  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.051  -1.232  -1.407  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.242  -1.823  -1.817  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.689  -2.972  -1.185  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.615   1.281  -0.132  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -0.497   2.196  -1.372  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -0.924   3.642  -1.103  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -2.106   3.704  -0.132  0.00  0.00    -0.014 C 
ATOM     21  C   LIG    1       -2.629   5.131   0.013  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -1.735   3.114   1.240  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -0.599   2.088   1.182  0.00  0.00    +0.025 C 
ENDBRANCH   7  17
BRANCH  10  24
ATOM     24  C   LIG    1        4.036  -0.403   0.199  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        4.569   0.550  -0.693  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.947   0.654  -0.938  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        6.829  -0.213  -0.312  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        8.517  -0.092  -0.612  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        6.341  -1.190   0.543  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        4.962  -1.289   0.783  0.00  0.00    +0.028 A 
ENDBRANCH  10  24
BRANCH   1  32
ATOM     31  C   LIG    1       -4.501  -5.340   0.112  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.276  -4.720   0.473  0.00  0.00    -0.493 OA
ENDBRANCH   1  32
TORSDOF 3