REMARK  Name = BDB036186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.227  -0.568  -0.419  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.079  -0.553   0.510  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.253   0.754   0.449  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.102   1.232  -0.908  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.135   1.278  -1.721  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.941  -0.041  -1.770  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.083   0.251   0.925  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.912  -0.750   0.021  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -4.638  -1.005  -0.385  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -4.490  -2.157  -1.341  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.507  -0.282   0.063  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -3.749   0.728   1.002  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.043   1.003   1.442  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.817  -0.281   1.139  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.433  -0.286   0.754  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.064  -1.022   0.156  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.491   0.514   1.366  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.752   1.366   2.207  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.129   0.392  -1.548  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.495   0.549  -0.919  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.183  -0.559  -0.419  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1        2.611  -1.772  -0.476  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.457  -0.442   0.149  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        5.149  -1.649   0.697  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1        6.612  -1.423   0.935  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1        7.047   0.004   1.163  0.00  0.00    +0.118 C 
ATOM     27  N   LIG    1        6.313   1.019   0.815  0.00  0.00    -0.245 NA
ATOM     28  O   LIG    1        7.440  -2.321   1.010  0.00  0.00    -0.290 OA
ATOM     29  C   LIG    1        5.056   0.816   0.236  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1        4.376   1.932  -0.261  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        3.110   1.804  -0.838  0.00  0.00    +0.010 A 
BRANCH  26  32
ATOM     32  C   LIG    1        8.416   0.192   1.778  0.00  0.00    +0.215 C 
ATOM     33  F   LIG    1        8.470   1.314   2.557  0.00  0.00    -0.239 F 
ATOM     34  C   LIG    1        9.468   0.329   0.694  0.00  0.00    +0.050 C 
ENDBRANCH  26  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5