REMARK  Name = BDB021326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.083  -0.306   0.310  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.276  -1.441   0.002  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.091  -1.287   0.129  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.667  -2.503  -0.158  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.383  -3.327  -0.489  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.687  -0.077   0.527  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.057   0.949   0.832  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.583  -2.665  -0.390  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.425   0.808   0.704  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.670   0.212  -0.179  0.00  0.00    +0.170 A 
ATOM     11  N   LIG    1        5.646  -0.929   0.530  0.00  0.00    -0.164 NA
ATOM     12  N   LIG    1        4.338  -1.188   0.741  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1        4.011  -2.354   1.532  0.00  0.00    +0.173 C 
ATOM     14  C   LIG    1        3.503  -0.237   0.201  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        4.347   0.681  -0.395  0.00  0.00    +0.064 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.926   0.834  -0.630  0.00  0.00    +0.359 C 
ATOM     17  O   LIG    1        8.048   0.391  -0.403  0.00  0.00    -0.243 OA
BRANCH  16  19
ATOM     18  C   LIG    1        7.891   2.623  -1.801  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        6.699   1.986  -1.339  0.00  0.00    -0.463 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  14
BRANCH   5  20
ATOM     20  C   LIG    1        0.312  -4.704  -0.876  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.226  -5.820  -1.186  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.056   0.025   0.627  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.264   0.857   1.177  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.851   0.081  -0.596  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.308   0.024  -0.248  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.039   1.148   0.125  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.614   2.558   0.299  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.988   3.221   0.415  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.952   2.233   0.842  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.378   1.041   0.482  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.047  -0.167   0.491  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.336  -1.305   0.115  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.986  -1.203  -0.246  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.331  -2.321  -0.594  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7