REMARK  Name = BDB040807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.097   0.070  -0.927  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.173  -0.744  -1.243  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -0.922   0.431  -0.891  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        0.152   0.954  -0.087  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.303   0.518  -0.625  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.200  -0.413  -1.158  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.566  -0.312  -0.899  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -5.387  -1.239  -1.415  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.091   0.716  -0.114  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.191   1.645   0.404  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -4.639   2.649   1.171  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.821   1.557   0.155  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.572   0.832   0.167  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.405   0.912  -1.111  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -7.023   1.474  -2.136  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.674   0.386  -1.048  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -9.225   0.467  -1.892  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.330  -0.111   0.050  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1      -10.514  -0.429  -0.007  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.542  -0.166   1.335  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.055  -0.318   1.058  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  N   LIG    1        2.070  -0.667  -0.169  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        2.334  -1.561  -0.569  0.00  0.00    +0.151 HD
BRANCH  22  26
ATOM     24  C   LIG    1        4.905   0.083   1.526  0.00  0.00    +0.219 A 
ATOM     25  O   LIG    1        4.111  -0.822   0.874  0.00  0.00    -0.409 OA
ATOM     26  C   LIG    1        3.046  -0.047   0.516  0.00  0.00    +0.308 A 
ATOM     27  N   LIG    1        3.171   1.201   0.910  0.00  0.00    -0.093 NA
ATOM     28  N   LIG    1        4.379   1.288   1.570  0.00  0.00    -0.111 NA
BRANCH  24  29
ATOM     29  C   LIG    1        6.195  -0.404   2.063  0.00  0.00    +0.098 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.383   0.023   1.200  0.00  0.00    +0.016 C 
BRANCH  30  32
ATOM     31  C   LIG    1        7.516  -2.121  -0.200  0.00  0.00    +0.011 C 
ATOM     32  C   LIG    1        7.423  -0.616  -0.181  0.00  0.00    -0.032 C 
ATOM     33  C   LIG    1        6.689   0.066  -1.317  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        8.187   0.130  -1.256  0.00  0.00    +0.007 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7