REMARK  Name = BDB042436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.281   0.970   0.943  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.031  -0.340   1.222  0.00  0.00    +0.054 C 
BRANCH   2  12
ATOM      3  O   LIG    1       -5.824  -3.091   0.742  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -5.304  -2.024   0.435  0.00  0.00    +0.257 A 
ATOM      5  C   LIG    1       -5.988  -1.050  -0.445  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -5.333   0.152  -0.756  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -5.968   1.082  -1.588  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -7.240   0.805  -2.097  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -7.871  -0.394  -1.776  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -9.089  -0.646  -2.270  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.999   0.416  -0.207  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.402  -0.486   0.591  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -7.259  -1.329  -0.953  0.00  0.00    +0.052 A 
ATOM     14  N   LIG    1       -4.055  -1.665   0.889  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1       -3.607  -2.349   1.488  0.00  0.00    +0.169 HD
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.062   1.052   1.686  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.003  -0.024   1.347  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        2.195  -0.004   2.225  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        3.445   0.707   1.653  0.00  0.00    +0.120 C 
ATOM     20  N   LIG    1        3.840   0.134   0.354  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1        2.792  -0.593  -0.381  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        1.401   0.017  -0.081  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.161   0.133  -0.059  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        5.649  -0.796  -0.995  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        6.985  -0.792  -1.416  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.859   0.152  -0.905  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1        9.137   0.160  -1.305  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.422   1.089   0.015  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        6.085   1.076   0.430  0.00  0.00    +0.026 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5