REMARK  Name = BDB036226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.564  -0.828   0.139  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.497   0.188   0.163  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.150  -0.487   0.519  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.203  -1.571  -0.434  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.903  -2.561  -0.466  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.276  -1.929  -0.803  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.572   0.300   0.206  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.785   0.894  -0.721  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.471   0.541  -0.775  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.705   1.239  -1.859  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.893  -0.394   0.103  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.757  -0.990   1.037  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.105  -0.648   1.099  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.914   1.389   1.619  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.583   0.853   1.484  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.963   0.927   2.280  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.012   0.720   0.225  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.627   0.943  -0.812  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.461  -2.234  -0.049  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.678  -1.367  -0.271  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.586  -1.135   0.765  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.371  -1.671   1.977  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.721  -0.347   0.563  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -4.976   0.226  -0.690  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1       -6.107   1.026  -0.938  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1       -6.929   1.218   0.049  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1       -6.738   0.653   1.453  0.00  0.00    +0.271 A 
ATOM     28  O   LIG    1       -7.532   0.889   2.350  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -4.077  -0.009  -1.731  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -5.616  -0.120   1.617  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -5.442  -0.522   2.530  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -2.940  -0.799  -1.528  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -8.138   2.050  -0.148  0.00  0.00    +0.043 C 
ATOM     34  C   LIG    1       -9.463   1.385  -0.444  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -8.783   2.194  -1.507  0.00  0.00    +0.010 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5