REMARK  Name = BDB020835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181  -0.238  -0.272  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.980  -0.048  -1.437  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1       -2.333  -0.246  -1.326  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.844   0.026  -2.561  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.871   0.346  -3.385  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.958  -0.630  -0.134  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.227  -0.789   0.937  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1       -0.691   0.299  -2.674  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.865  -0.590   0.839  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  16
ATOM     10  N   LIG    1        6.116   0.804  -0.031  0.00  0.00    -0.294 N 
ATOM     11  H   LIG    1        5.863   1.115   0.892  0.00  0.00    +0.151 HD
ATOM     12  C   LIG    1        5.443  -0.327  -0.428  0.00  0.00    +0.303 C 
ATOM     13  N   LIG    1        4.149  -0.426   0.069  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1        3.362  -1.610  -0.258  0.00  0.00    +0.110 C 
ATOM     15  C   LIG    1        2.045  -1.244  -0.941  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1        1.335  -0.033  -0.295  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        1.987   0.344   1.047  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        3.477   0.617   0.842  0.00  0.00    +0.110 C 
ATOM     19  O   LIG    1        5.936  -1.171  -1.169  0.00  0.00    -0.253 OA
BRANCH  10  21
ATOM     20  C   LIG    1        7.627   1.229  -1.962  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        7.495   1.129  -0.432  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1        7.841   2.506   0.164  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1        8.488   0.094   0.119  0.00  0.00    +0.031 C 
ENDBRANCH  10  21
ENDBRANCH   1  16
BRANCH   6  24
ATOM     24  N   LIG    1       -4.324  -0.819  -0.124  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -4.768  -1.062  -1.003  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.984  -1.427   1.020  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.470  -1.280   0.874  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -7.115  -0.056   1.029  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.556   1.290   1.300  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.851   2.034   1.626  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -8.963   1.332   1.024  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -8.489   0.057   0.856  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -9.281  -1.022   0.522  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -8.659  -2.261   0.368  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -7.273  -2.379   0.542  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -6.708  -3.583   0.366  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5