REMARK  Name = BDB040715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.329   0.999   0.586  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1        0.663  -0.113   0.978  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1        1.712   0.845   0.748  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        0.883   1.647  -0.108  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.087   0.578   0.593  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.922   1.471  -0.086  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.284   1.204  -0.225  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        6.047   2.092  -0.880  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        5.865   0.052   0.307  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.029  -0.824   0.996  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1        5.537  -1.936   1.546  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        3.664  -0.571   1.144  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1        7.340  -0.245   0.152  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1        7.777  -0.281  -1.311  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        7.060  -0.691  -2.223  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        9.072   0.098  -1.571  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        9.358   0.046  -2.539  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       10.059   0.409  -0.671  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       11.215   0.603  -1.038  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        9.663   0.417   0.785  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1        8.190   0.752   0.948  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1       -2.354  -0.337   0.034  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1       -1.425   0.597  -0.311  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1       -1.569   1.022  -1.217  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1       -2.378  -0.955   1.087  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1       -3.247  -0.474  -0.975  0.00  0.00    -0.444 OA
BRANCH  26  29
ATOM     27  N   LIG    1       -6.203  -0.636  -0.784  0.00  0.00    -0.308 N 
ATOM     28  C   LIG    1       -5.460  -1.449  -1.717  0.00  0.00    +0.153 C 
ATOM     29  C   LIG    1       -4.298  -1.437  -0.716  0.00  0.00    +0.212 C 
ATOM     30  C   LIG    1       -5.376  -1.062   0.317  0.00  0.00    +0.153 C 
BRANCH  27  33
ATOM     31  C   LIG    1       -7.617   1.042   1.185  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1       -8.311   0.156   0.193  0.00  0.00    -0.011 A 
ATOM     33  C   LIG    1       -7.617  -0.629  -0.743  0.00  0.00    +0.124 A 
ATOM     34  N   LIG    1       -8.275  -1.385  -1.655  0.00  0.00    -0.240 NA
ATOM     35  C   LIG    1       -9.624  -1.404  -1.626  0.00  0.00    +0.113 A 
ATOM     36  C   LIG    1      -10.382  -0.692  -0.721  0.00  0.00    +0.020 A 
ATOM     37  C   LIG    1       -9.712   0.098   0.202  0.00  0.00    +0.008 A 
ENDBRANCH  27  33
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6