REMARK  Name = BDB015748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.054   1.543  -0.788  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.124   1.454  -0.149  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1        0.456   0.265   0.370  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.381  -0.829   0.238  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.559  -0.654  -0.464  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1       -1.907   0.532  -0.993  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.512  -1.778  -0.656  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.832  -1.509  -0.663  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.790  -2.496  -0.829  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -6.191  -2.103  -0.808  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.462  -3.839  -1.000  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.285  -4.743  -1.130  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.997  -4.153  -1.025  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.619  -5.582  -1.248  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.106  -3.160  -0.863  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  N   LIG    1        1.666   0.114   1.090  0.00  0.00    -0.314 N 
ATOM     17  C   LIG    1        2.189   1.407   1.551  0.00  0.00    +0.131 C 
BRANCH  16  18
ATOM     18  C   LIG    1        2.637  -0.689   0.323  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.748  -1.214   1.208  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.453  -1.933   2.377  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.478  -2.438   3.179  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.808  -2.236   2.818  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.116  -1.530   1.656  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.092  -1.023   0.853  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   3  16
BRANCH   1  25
ATOM     25  O   LIG    1       -1.426   2.748  -1.372  0.00  0.00    -0.420 OA
BRANCH  25  28
ATOM     26  C   LIG    1        0.334   4.144  -3.122  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        0.051   4.601  -1.721  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -0.802   3.870  -0.881  0.00  0.00    +0.170 A 
ATOM     29  C   LIG    1       -1.070   4.318   0.415  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -1.924   3.647   1.202  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -0.466   5.470   0.906  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        0.405   6.190   0.091  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        0.661   5.760  -1.215  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 6