REMARK  Name = BDB021261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.398   1.077   0.116  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.404   0.047   0.715  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.756   0.047   0.421  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -2.310  -1.049   1.040  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.275  -1.636   1.726  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -2.358   1.012  -0.403  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.626   1.930  -0.967  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.103  -0.952   1.529  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.275   1.934  -0.689  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        3.914   0.790   0.839  0.00  0.00    -0.271 N 
ATOM     11  N   LIG    1        3.938   2.070   0.424  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        2.662   2.320   0.116  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1        1.817   1.205   0.327  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.670   0.231   0.801  0.00  0.00    +0.117 A 
BRANCH  10  15
ATOM     15  C   LIG    1        5.139   0.150   1.280  0.00  0.00    +0.144 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.918  -0.456   0.115  0.00  0.00    +0.038 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.228  -1.076   0.608  0.00  0.00    +0.085 C 
BRANCH  17  19
ATOM     18  C   LIG    1        9.054  -2.575   0.147  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        7.943  -1.821  -0.442  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1        8.452  -0.941  -1.496  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -1.335  -2.811   2.542  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -1.424  -3.765   3.197  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.714   0.988  -0.648  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.884   1.628  -1.426  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.636   1.356   0.426  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.043   1.399  -0.096  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.692   0.281  -0.614  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.196  -1.099  -0.834  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.522  -1.796  -1.138  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.479  -0.813  -1.593  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.992   0.368  -1.098  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.706   1.549  -1.091  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -8.084   2.679  -0.562  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.774   2.596  -0.071  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -6.210   3.706   0.426  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 9