REMARK  Name = BDB020834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.714  -0.209  -1.327  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.145   0.566  -2.158  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1       -1.498   0.456  -1.960  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.068   1.315  -2.854  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.132   1.899  -3.570  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.068  -0.384  -0.996  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.278  -1.085  -0.227  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        0.085   1.426  -3.129  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.084  -0.979  -0.411  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  16
ATOM     10  N   LIG    1        6.680   0.490   0.988  0.00  0.00    -0.300 N 
ATOM     11  H   LIG    1        6.769   0.894   0.068  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        5.778  -0.545   1.038  0.00  0.00    +0.302 C 
ATOM     13  N   LIG    1        4.677  -0.387   0.209  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1        3.727  -1.491   0.121  0.00  0.00    +0.110 C 
ATOM     15  C   LIG    1        2.982  -1.487  -1.209  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1        2.236  -0.160  -1.468  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        2.798   0.998  -0.624  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        4.305   0.875  -0.434  0.00  0.00    +0.110 C 
ATOM     19  O   LIG    1        5.939  -1.527   1.756  0.00  0.00    -0.253 OA
BRANCH  10  21
ATOM     20  C   LIG    1        8.631   1.738   1.779  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        7.904   0.407   1.758  0.00  0.00    +0.102 C 
ENDBRANCH  10  21
ENDBRANCH   1  16
BRANCH   6  22
ATOM     22  N   LIG    1       -3.442  -0.439  -0.881  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.987  -0.207  -1.705  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.081  -1.454  -0.060  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.532  -1.113   0.106  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.970  -0.142   1.002  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.205   0.669   1.980  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.286   1.680   2.363  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.586   1.116   2.073  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.321   0.152   1.136  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.292  -0.491   0.396  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.876  -1.454  -0.524  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.513  -1.752  -0.663  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -6.150  -2.674  -1.565  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5