REMARK  Name = BDB042444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.864  -1.239   0.094  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.238  -1.906   0.233  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -6.258   1.065   2.079  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -6.258   1.101   0.574  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -5.302   0.403  -0.199  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -5.361   0.481  -1.607  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -4.358  -0.255  -2.415  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1       -3.417  -0.975  -1.712  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -2.748  -1.470  -2.291  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.341  -1.054  -0.344  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1       -4.339  -0.243  -3.639  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -6.352   1.239  -2.228  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1       -6.435   1.334  -3.562  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.292   1.927  -1.470  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -4.239  -0.409   0.416  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -7.247   1.859  -0.078  0.00  0.00    +0.007 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.231  -2.120   0.712  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.604  -1.610   0.645  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.788  -0.309   1.293  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.288  -0.004   1.458  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        4.071  -0.253   0.189  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.529  -0.994  -0.796  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        2.159  -1.612  -0.713  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.425   0.323   0.075  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        5.839   0.964  -1.103  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        7.117   1.524  -1.206  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        8.002   1.454  -0.127  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        7.600   0.824   1.054  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        6.320   0.266   1.152  0.00  0.00    +0.009 A 
BRANCH  27  30
ATOM     30  C   LIG    1        9.312   2.027  -0.229  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1       10.372   2.492  -0.311  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6