REMARK  Name = BDB052955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.483  -3.220   1.282  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        3.733   1.669   1.607  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1        3.188   0.689   0.601  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        3.428   0.865  -0.779  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        2.914  -0.040  -1.717  0.00  0.00    +0.095 A 
ATOM      6  C   LIG    1        2.164  -1.100  -1.211  0.00  0.00    +0.171 A 
ATOM      7  C   LIG    1        1.901  -1.314   0.128  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        1.099  -2.487   0.134  0.00  0.00    +0.092 A 
ATOM      9  N   LIG    1        0.916  -2.957  -1.109  0.00  0.00    -0.082 NA
ATOM     10  O   LIG    1        1.579  -2.080  -1.948  0.00  0.00    -0.354 OA
ATOM     11  C   LIG    1        2.424  -0.405   1.062  0.00  0.00    +0.020 A 
BRANCH   4  12
ATOM     12  O   LIG    1        4.182   1.967  -1.105  0.00  0.00    -0.480 OA
BRANCH  12  13
ATOM     13  C   LIG    1        4.464   2.182  -2.491  0.00  0.00    +0.349 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.311   3.437  -2.624  0.00  0.00    +0.343 C 
ATOM     15  O   LIG    1        5.698   3.889  -3.691  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1        5.603   4.017  -1.434  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        5.197   3.494  -0.708  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   4  12
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -0.347  -2.362   2.238  0.00  0.00    +0.065 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.365  -1.516   1.562  0.00  0.00    +0.084 A 
ATOM     20  C   LIG    1       -2.557  -1.862   0.962  0.00  0.00    +0.131 A 
ATOM     21  O   LIG    1       -3.103  -0.722   0.439  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1       -2.220   0.267   0.773  0.00  0.00    +0.229 A 
ATOM     23  N   LIG    1       -1.162  -0.160   1.435  0.00  0.00    -0.214 NA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.494   1.609   0.270  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1       -3.777   2.171   0.163  0.00  0.00    +0.055 A 
ATOM     26 CL   LIG    1       -5.215   1.359   0.686  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -3.946   3.467  -0.344  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -2.838   4.213  -0.738  0.00  0.00    +0.042 A 
ATOM     29 CL   LIG    1       -3.051   5.803  -1.357  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -1.557   3.682  -0.625  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -1.389   2.390  -0.121  0.00  0.00    +0.016 A 
ENDBRANCH  22  24
BRANCH  20  32
ATOM     32  C   LIG    1       -3.299  -3.136   0.757  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -3.321  -3.521  -0.722  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -4.718  -3.046   1.317  0.00  0.00    +0.015 C 
ENDBRANCH  20  32
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9