REMARK  Name = BDB058658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.316  -0.175   0.226  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        1.027   1.071  -0.132  0.00  0.00    -0.181 NA
ATOM      3  C   LIG    1       -0.254   1.408  -0.254  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -1.240   0.542  -0.052  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.880  -0.679   0.318  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1        0.378  -1.079   0.471  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.844  -2.486  -1.159  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1        2.974  -1.978   0.283  0.00  0.00    +0.099 C 
ATOM      9  N   LIG    1        2.646  -0.540   0.386  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1        3.650   0.383  -0.161  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1        5.050   0.015   0.355  0.00  0.00    +0.179 C 
ATOM     12  O   LIG    1        5.363  -1.367   0.124  0.00  0.00    -0.376 OA
ATOM     13  C   LIG    1        4.412  -2.204   0.802  0.00  0.00    +0.182 C 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  N   LIG    1       -0.572   2.709  -0.660  0.00  0.00    -0.295 N 
ATOM     15  C   LIG    1        0.492   3.692  -0.388  0.00  0.00    +0.136 C 
ATOM     16  C   LIG    1        0.092   5.071  -0.934  0.00  0.00    +0.179 C 
ATOM     17  O   LIG    1       -1.172   5.498  -0.407  0.00  0.00    -0.377 OA
ATOM     18  C   LIG    1       -2.198   4.566  -0.782  0.00  0.00    +0.179 C 
ATOM     19  C   LIG    1       -1.911   3.159  -0.238  0.00  0.00    +0.136 C 
ENDBRANCH   3  14
BRANCH   5  20
ATOM     20  C   LIG    1       -1.938  -1.673   0.581  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -3.256  -1.614   0.083  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -4.171  -2.625   0.441  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1       -3.764  -3.677   1.243  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1       -2.521  -3.771   1.720  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -1.652  -2.782   1.386  0.00  0.00    +0.125 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.759  -0.498  -0.798  0.00  0.00    +0.372 C 
ATOM     27  F   LIG    1       -4.872  -0.858  -1.509  0.00  0.00    -0.204 F 
ATOM     28  F   LIG    1       -4.137   0.598  -0.084  0.00  0.00    -0.204 F 
ENDBRANCH  21  26
BRANCH  23  29
ATOM     29  N   LIG    1       -4.657  -4.671   1.622  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -5.114  -5.096   0.824  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -4.135  -5.351   2.168  0.00  0.00    +0.144 HD
ENDBRANCH  23  29
ENDBRANCH   5  20
TORSDOF 5