REMARK  Name = BDB042676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.264  -0.326   0.658  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        1.948  -1.107   0.552  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        1.008  -0.741   1.700  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        0.734   0.698   1.807  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1        1.991   1.457   1.900  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        2.970   1.174   0.761  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        4.086  -0.595  -0.529  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1        3.713  -1.323  -1.135  0.00  0.00    +0.146 HD
BRANCH   7  12
ATOM      9  C   LIG    1        8.250  -0.509  -0.526  0.00  0.00    +0.140 A 
ATOM     10  N   LIG    1        7.614  -0.009   0.558  0.00  0.00    -0.243 NA
ATOM     11  C   LIG    1        6.257  -0.057   0.543  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1        5.478  -0.604  -0.477  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        6.186  -1.076  -1.588  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        7.582  -1.043  -1.617  0.00  0.00    +0.041 A 
BRANCH   9  16
ATOM     15  N   LIG    1       10.848  -0.426  -0.523  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1        9.686  -0.451  -0.501  0.00  0.00    +0.119 C 
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -0.147   1.232   0.755  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.580   0.688   0.841  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.500   1.416  -0.146  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.907   0.872  -0.122  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -4.666   1.151   0.990  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -4.272   1.691   1.753  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.972   0.750   1.186  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -6.569   1.045   2.213  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.583  -0.042   0.092  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1       -5.811  -0.323  -1.047  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -6.371  -1.068  -2.094  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -7.686  -1.530  -2.004  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -8.447  -1.248  -0.870  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.895  -0.506   0.173  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1       -8.664  -0.260   1.243  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.432   0.165  -1.134  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7