REMARK  Name = BDB041318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.495   0.057  -0.422  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        2.561  -0.385   0.917  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1        1.372  -0.840   1.532  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.485  -1.314   2.849  0.00  0.00    +0.122 A 
ATOM      5  N   LIG    1        2.627  -1.336   3.578  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1        3.733  -0.872   2.976  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        0.158  -0.805   0.804  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        0.113  -0.387  -0.478  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        3.753  -0.399   1.674  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        1.258   0.035  -1.053  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.583  -1.765  -1.788  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1        4.583  -0.319  -1.768  0.00  0.00    -0.265 N 
ATOM     13  C   LIG    1        3.664   0.512  -1.168  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1        4.094   1.796  -1.450  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        5.281   1.634  -2.191  0.00  0.00    +0.162 A 
ATOM     16  N   LIG    1        5.587   0.345  -2.377  0.00  0.00    -0.160 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.130   2.662  -2.720  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        6.792   3.525  -3.131  0.00  0.00    -0.189 NA
ENDBRANCH  15  17
ENDBRANCH   1  13
BRANCH   7  19
ATOM     19  N   LIG    1       -1.028  -1.254   1.396  0.00  0.00    -0.328 N 
ATOM     20  H   LIG    1       -1.175  -0.837   2.314  0.00  0.00    +0.147 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.260  -1.223   0.602  0.00  0.00    +0.114 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.825   0.186   0.330  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -2.903   1.049   1.630  0.00  0.00    +0.198 C 
ATOM     24  F   LIG    1       -2.958   0.227   2.721  0.00  0.00    -0.240 F 
ATOM     25  C   LIG    1       -4.067   2.010   1.719  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -5.128   1.942   0.898  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -5.167   0.938  -0.118  0.00  0.00    +0.120 C 
ATOM     28  O   LIG    1       -6.275   0.835  -0.932  0.00  0.00    -0.492 OA
ATOM     29  C   LIG    1       -5.974  -0.322  -1.746  0.00  0.00    +0.233 C 
ATOM     30  C   LIG    1       -4.494  -0.681  -1.574  0.00  0.00    +0.076 C 
ATOM     31  C   LIG    1       -4.145   0.136  -0.394  0.00  0.00    -0.017 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 5