REMARK  Name = BDB021297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.704   0.079   0.890  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1       -2.344  -0.351  -0.428  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -1.015  -0.210  -0.798  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.888  -0.705  -2.076  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -2.152  -1.107  -2.432  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.033   0.339   0.049  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.374   0.719   1.248  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1       -3.043  -0.884  -1.414  0.00  0.00    -0.215 NA
ATOM      9  C   LIG    1       -1.689   0.580   1.632  0.00  0.00    +0.144 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.630  -0.783   1.404  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.215  -0.403   1.602  0.00  0.00    +0.056 A 
ATOM     12  N   LIG    1       -5.796   0.140   2.783  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1       -4.510   0.356   2.623  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -4.032  -0.021   1.375  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1       -5.156  -0.510   0.729  0.00  0.00    +0.115 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1       -2.557  -1.695  -3.674  0.00  0.00    +0.121 C 
ATOM     17  N   LIG    1       -2.849  -2.168  -4.693  0.00  0.00    -0.189 NA
ENDBRANCH   5  16
BRANCH   6  18
ATOM     18  N   LIG    1        1.260   0.451  -0.415  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.390   0.495  -1.420  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.254   1.219   0.314  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.610   0.968  -0.279  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.292  -0.231  -0.092  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.882  -1.462   0.626  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.226  -2.191   0.653  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.058  -1.687  -0.417  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.530  -0.450  -0.682  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.144   0.495  -1.479  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.483   1.707  -1.676  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.233   1.931  -1.081  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.618   3.100  -1.312  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5