REMARK  Name = BDB042632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.461   0.633  -0.075  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.542   0.080  -1.012  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1        6.042   2.903  -1.449  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        6.215   1.844  -0.393  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        5.183   0.938  -0.055  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        5.414  -0.030   0.945  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        4.330  -0.981   1.296  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1        3.148  -0.840   0.604  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1        2.428  -1.508   0.853  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        2.906   0.101  -0.366  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1        4.449  -1.853   2.148  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        6.646  -0.091   1.593  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1        6.897  -0.998   2.547  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        7.661   0.799   1.263  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        3.867   0.970  -0.715  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        7.449   1.760   0.277  0.00  0.00    +0.007 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.926   0.679  -0.730  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.390  -0.633  -1.173  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1       -1.720  -1.598  -0.104  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1       -2.821  -1.109   0.881  0.00  0.00    +0.124 C 
ATOM     21  N   LIG    1       -4.046  -0.619   0.198  0.00  0.00    -0.326 N 
ATOM     22  C   LIG    1       -3.859  -0.006  -1.142  0.00  0.00    +0.124 C 
ATOM     23  C   LIG    1       -2.240  -2.770  -0.948  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -2.867  -2.103  -2.172  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -2.657  -0.603  -1.931  0.00  0.00    +0.074 C 
BRANCH  21  26
ATOM     26  C   LIG    1       -5.110  -0.172   0.994  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -5.213  -0.433   2.370  0.00  0.00    +0.137 A 
ATOM     28  N   LIG    1       -6.220  -0.041   3.196  0.00  0.00    -0.226 NA
ATOM     29  C   LIG    1       -7.217   0.651   2.623  0.00  0.00    +0.213 A 
ATOM     30  F   LIG    1       -8.228   1.053   3.406  0.00  0.00    -0.184 F 
ATOM     31  C   LIG    1       -7.255   0.963   1.281  0.00  0.00    +0.061 A 
ATOM     32  C   LIG    1       -6.197   0.544   0.469  0.00  0.00    +0.029 A 
ENDBRANCH  21  26
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5