REMARK  Name = BDB045875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.756   0.305   1.021  0.00  0.00    +0.183 A 
ATOM      2  N   LIG    1        0.369  -0.952   0.604  0.00  0.00    -0.324 N 
ATOM      3  C   LIG    1        1.161  -2.168   0.569  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        0.329  -3.428   0.330  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -0.697  -3.191  -0.775  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -1.661  -2.078  -0.367  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1       -0.944  -0.890   0.180  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.323   0.416   0.407  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.269   1.136   0.910  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.601   1.037   0.124  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -3.822   0.443   0.458  0.00  0.00    +0.133 A 
ATOM     12  F   LIG    1       -3.869  -0.748   1.073  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -5.035   1.077   0.188  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -5.032   2.336  -0.415  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -3.824   2.946  -0.766  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -2.615   2.302  -0.485  0.00  0.00    +0.014 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -6.296   3.038  -0.723  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1       -6.495   3.617  -1.775  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -7.181   2.995   0.294  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -6.823   2.654   1.136  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   8  10
BRANCH   1  21
ATOM     21  C   LIG    1        2.042   0.777   1.522  0.00  0.00    +0.233 C 
ATOM     22  O   LIG    1        2.192   1.778   2.226  0.00  0.00    -0.283 OA
BRANCH  21  24
ATOM     23  C   LIG    1        3.724   0.163  -0.199  0.00  0.00    +0.132 A 
ATOM     24  C   LIG    1        3.287   0.096   1.131  0.00  0.00    +0.085 A 
ATOM     25  C   LIG    1        4.073  -0.563   2.083  0.00  0.00    +0.055 A 
ATOM     26 CL   LIG    1        3.591  -0.727   3.733  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        5.272  -1.172   1.694  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        5.688  -1.124   0.362  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.909  -0.464  -0.587  0.00  0.00    +0.046 A 
BRANCH  23  31
ATOM     30  C   LIG    1        3.322   2.139  -1.308  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        2.967   0.760  -1.171  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 6