REMARK  Name = BDB042658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.171  -1.264   0.666  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.853  -0.791   1.869  0.00  0.00    -0.293 NA
ATOM      3  C   LIG    1       -1.295   0.618   1.856  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -2.258   0.975   0.688  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1       -3.410   0.044   0.564  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -3.185  -1.354   1.010  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1       -2.035   0.688   3.199  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -2.591  -0.722   3.395  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -2.129  -1.483   2.146  0.00  0.00    +0.074 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -4.347   0.277  -0.455  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.426   1.508  -1.135  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -5.372   1.752  -2.142  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -6.279   0.764  -2.491  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -7.441   1.056  -3.724  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -6.250  -0.458  -1.838  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -5.299  -0.690  -0.833  0.00  0.00    +0.024 A 
ENDBRANCH   5  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.207  -0.611   0.501  0.00  0.00    +0.021 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.955  -1.210  -0.694  0.00  0.00    +0.054 C 
BRANCH  18  27
ATOM     19  O   LIG    1        4.481   2.546  -2.099  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        4.507   1.409  -1.643  0.00  0.00    +0.258 A 
ATOM     21  C   LIG    1        5.779   0.730  -1.325  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        5.738  -0.562  -0.814  0.00  0.00    +0.078 A 
ATOM     23  N   LIG    1        6.849  -1.269  -0.493  0.00  0.00    -0.255 NA
ATOM     24  C   LIG    1        8.037  -0.653  -0.695  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        8.170   0.634  -1.201  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.457  -1.227  -0.595  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        3.314  -0.585  -0.883  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        7.015   1.341  -1.524  0.00  0.00    +0.017 A 
ATOM     29  N   LIG    1        3.354   0.692  -1.399  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1        2.493   1.175  -1.627  0.00  0.00    +0.169 HD
ENDBRANCH  18  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5