REMARK  Name = BDB021327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.798  -0.741  -0.394  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.125  -1.834   0.229  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -1.116  -2.176  -0.278  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.540  -3.288   0.412  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.563  -3.525   1.350  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.717  -1.485  -1.345  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.071  -0.518  -1.942  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.469  -2.628   1.227  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.161  -0.162  -1.435  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.820   1.053   0.640  0.00  0.00    +0.148 A 
ATOM     11  N   LIG    1        4.233  -0.227   0.651  0.00  0.00    -0.166 NA
ATOM     12  N   LIG    1        3.159  -0.952   0.271  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1        3.339  -2.381   0.132  0.00  0.00    +0.173 C 
ATOM     14  C   LIG    1        2.047  -0.186   0.014  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        2.455   1.113   0.244  0.00  0.00    +0.063 A 
BRANCH  10  18
ATOM     16  C   LIG    1        6.736   3.238   1.811  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        6.017   2.111   1.245  0.00  0.00    -0.302 N 
ATOM     18  C   LIG    1        4.637   2.234   1.017  0.00  0.00    +0.266 C 
ATOM     19  O   LIG    1        4.081   3.331   1.126  0.00  0.00    -0.268 OA
ATOM     20  C   LIG    1        6.774   0.879   1.092  0.00  0.00    +0.132 C 
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1       -0.540  -4.569   2.328  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -0.546  -5.435   3.103  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.974  -1.812  -1.809  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.120  -1.276  -2.662  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.157  -1.677  -0.961  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.266  -0.312  -0.344  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.595   0.827  -1.073  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.850   1.002  -2.524  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -5.426   2.418  -2.508  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -4.969   3.097  -1.317  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -4.648   2.075  -0.462  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.377   2.254   0.879  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -4.053   1.127   1.632  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -4.002  -0.133   1.022  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -3.675  -1.194   1.775  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6