REMARK  Name = BDB022313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.430  -1.560  -0.301  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.986  -1.292   0.089  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.677  -2.199   0.914  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.019  -1.942   1.236  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.666  -0.789   0.780  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.993   0.142  -0.006  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.999  -3.340   1.434  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.695  -4.277   2.301  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        0.344  -3.558   1.184  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        1.002  -4.483   1.657  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -1.654  -0.120  -0.331  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        1.021  -2.620   0.265  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.012  -0.699  -1.227  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1        0.345  -0.419  -1.945  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.382  -0.665  -1.760  0.00  0.00    +0.093 C 
ATOM     16  C   LIG    1        2.675  -1.873  -2.647  0.00  0.00    +0.030 C 
BRANCH  15  17
ATOM     17  C   LIG    1        3.445  -0.432  -0.671  0.00  0.00    +0.181 C 
BRANCH  17  18
ATOM     18  O   LIG    1        4.695  -0.112  -1.289  0.00  0.00    -0.376 OA
BRANCH  18  19
ATOM     19  C   LIG    1        5.775   0.038  -0.361  0.00  0.00    +0.188 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.727   1.349   0.430  0.00  0.00    +0.187 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.843   3.697   0.229  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1        5.904   2.455  -0.458  0.00  0.00    -0.381 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1       -3.574   1.351  -0.434  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -3.165   1.701  -1.299  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.641   2.117   0.088  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1       -5.469   2.885  -0.753  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -6.526   3.577  -0.177  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1       -7.618   4.555  -1.083  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1       -6.819   3.564   1.143  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1       -6.018   2.825   1.931  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1       -4.941   2.095   1.456  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -5.233   2.950  -2.160  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -4.983   2.981  -3.293  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 10