REMARK  Name = BDB034296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.539   0.219   0.513  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1        2.773  -0.603  -0.039  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.529   0.462   1.488  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        4.906   0.268   1.171  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        5.863   0.545   2.174  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        7.210   0.345   1.906  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        7.670  -0.107   0.659  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        6.734  -0.371  -0.340  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1        5.537   1.007   3.388  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        4.237   1.240   3.641  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        5.373  -0.180  -0.090  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        3.218   1.001   2.738  0.00  0.00    +0.043 A 
BRANCH   7  13
ATOM     13  C   LIG    1        9.143  -0.325   0.427  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        9.925   0.603   1.045  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        9.490  -0.283  -0.890  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.564  -1.536   0.885  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        1.122   0.253   0.869  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.280  -0.108  -0.356  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.216  -0.044  -0.026  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.028  -0.473  -1.171  0.00  0.00    -0.302 NA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.228   0.598  -2.157  0.00  0.00    +0.084 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -2.880   1.220  -4.513  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -2.792   0.095  -3.492  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -3.244  -1.213  -0.795  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.529  -0.442  -0.374  0.00  0.00    +0.003 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.336   0.381   0.915  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -5.590   1.106   1.389  0.00  0.00    +0.004 C 
ENDBRANCH  25  26
BRANCH  25  28
ATOM     28  C   LIG    1       -5.729  -1.420  -0.303  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -5.654  -2.468   0.799  0.00  0.00    +0.004 C 
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12