REMARK  Name = BDB015759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.290   0.381   0.056  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.911  -0.902   0.026  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -0.402  -1.150  -0.070  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.364  -0.222  -0.175  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.964   1.060  -0.137  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.369   1.408  -0.033  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.047   2.068  -0.264  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.000   3.217   0.439  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.998   4.179   0.357  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.862   5.390   1.151  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.127   4.018  -0.444  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.035   4.836  -0.559  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.202   2.742  -1.199  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.219   1.839  -1.098  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.653   0.730   0.131  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        2.772   1.384   0.901  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.615  -0.385   0.203  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        3.871  -0.928  -1.206  0.00  0.00    +0.028 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.915   0.151   0.843  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.174  -0.375   1.831  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        5.971  -0.931   1.084  0.00  0.00    -0.002 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1       -0.736  -2.498  -0.136  0.00  0.00    -0.420 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.059  -2.801   0.078  0.00  0.00    +0.170 A 
ATOM     24  C   LIG    1       -2.617  -2.666   1.352  0.00  0.00    +0.166 A 
ATOM     25  F   LIG    1       -1.873  -2.219   2.375  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1       -3.947  -2.999   1.583  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -4.726  -3.485   0.534  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -4.168  -3.643  -0.739  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.825  -3.315  -0.979  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1       -2.236  -3.481  -2.349  0.00  0.00    +0.047 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7