REMARK  Name = BDB059086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.111   1.684   0.801  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.668   0.639   0.504  0.00  0.00    +0.231 C 
ATOM      3  C   LIG    1       -1.978  -0.694   0.104  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -1.169  -1.212   1.304  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        0.134  -0.442   1.509  0.00  0.00    +0.109 C 
ATOM      6  N   LIG    1        0.905  -0.427   0.258  0.00  0.00    -0.301 N 
ATOM      7  C   LIG    1        0.196   0.275  -0.825  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.113  -0.448  -1.142  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1       -3.186  -1.577  -0.196  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.361  -0.847   0.023  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -5.620  -1.386  -0.184  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -5.696  -2.707  -0.620  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -4.538  -3.462  -0.838  0.00  0.00    +0.040 A 
ATOM     14 CL   LIG    1       -7.237  -3.423  -0.890  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -3.276  -2.897  -0.626  0.00  0.00    +0.048 A 
ATOM     16 CL   LIG    1       -1.896  -3.884  -0.909  0.00  0.00    -0.083 Cl
ATOM     17  N   LIG    1       -4.045   0.439   0.462  0.00  0.00    -0.268 N 
ENDROOT
BRANCH   6  18
ATOM     18  C   LIG    1        2.281  -0.272   0.319  0.00  0.00    +0.198 A 
ATOM     19  N   LIG    1        2.959  -1.143   1.125  0.00  0.00    -0.295 N 
ATOM     20  H   LIG    1        2.464  -1.893   1.573  0.00  0.00    +0.172 HD
ATOM     21  C   LIG    1        4.315  -1.155   1.254  0.00  0.00    +0.256 A 
ATOM     22  O   LIG    1        4.900  -1.986   1.941  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.027  -0.100   0.508  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.519  -0.030   0.626  0.00  0.00    +0.042 C 
ATOM     25  C   LIG    1        7.156   0.871  -0.434  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        6.351   2.152  -0.621  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        4.912   1.840  -1.040  0.00  0.00    +0.056 C 
ATOM     28  C   LIG    1        4.278   0.720  -0.249  0.00  0.00    +0.053 A 
ATOM     29  N   LIG    1        2.913   0.632  -0.367  0.00  0.00    -0.220 NA
ENDBRANCH   6  18
BRANCH  17  30
ATOM     30  C   LIG    1       -5.003   1.489   0.728  0.00  0.00    +0.141 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.320   2.322  -0.513  0.00  0.00    +0.175 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -6.251   3.352  -0.199  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -5.775   4.027   0.317  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  17  30
TORSDOF 4