REMARK  Name = BDB056902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.528  -3.996   1.574  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.794  -2.568   1.201  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1       -2.097  -2.082   1.131  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -2.361  -0.753   0.748  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.319   0.120   0.423  0.00  0.00    +0.065 A 
ATOM      6  N   LIG    1       -1.523   1.473   0.092  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1       -0.701   2.080   0.105  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -2.601   2.175  -0.370  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1       -3.843   1.535  -0.836  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -4.396   0.388  -0.286  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -5.636  -0.091  -0.753  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -6.309   0.562  -1.784  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.757   1.705  -2.348  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.538   2.192  -1.871  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1       -2.487   3.395  -0.502  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        0.020  -0.362   0.510  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1       -3.777  -0.363   0.805  0.00  0.00    +0.196 A 
ATOM     18  O   LIG    1       -4.484  -0.783   1.718  0.00  0.00    -0.287 OA
ATOM     19  C   LIG    1        0.254  -1.705   0.879  0.00  0.00    +0.018 A 
ENDROOT
BRANCH  16  20
ATOM     20  C   LIG    1        1.170   0.498   0.218  0.00  0.00    +0.251 A 
ATOM     21  O   LIG    1        2.422  -0.058   0.293  0.00  0.00    -0.416 OA
ATOM     22  C   LIG    1        3.233   1.003  -0.034  0.00  0.00    +0.250 A 
ATOM     23  N   LIG    1        2.540   2.097  -0.273  0.00  0.00    -0.107 NA
ATOM     24  N   LIG    1        1.211   1.774  -0.110  0.00  0.00    -0.107 NA
BRANCH  22  25
ATOM     25  C   LIG    1        4.670   0.748  -0.046  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1        5.574   1.510  -0.807  0.00  0.00    +0.053 A 
ATOM     27 CL   LIG    1        5.079   2.794  -1.856  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        6.948   1.232  -0.770  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        7.441   0.196   0.021  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.562  -0.571   0.777  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.192  -0.297   0.744  0.00  0.00    +0.015 A 
ENDBRANCH  22  25
ENDBRANCH  16  20
TORSDOF 2