REMARK  Name = BDB001516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.920   1.127   0.154  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.410   1.229  -0.022  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1        0.987   2.447   0.063  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.228   3.570   0.340  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1        0.773   4.792   0.421  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -1.118   3.383   0.511  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -1.710   2.178   0.422  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.423  -0.164   0.031  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -0.664  -0.789  -0.198  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  C   LIG    1       -5.231  -1.998   0.299  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -4.088  -2.733  -0.008  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.840  -2.107  -0.091  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.698  -0.729   0.128  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -3.854  -0.006   0.436  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -5.109  -0.629   0.521  0.00  0.00    +0.047 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -7.578  -2.013   0.660  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -6.387  -2.725   0.351  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  N   LIG    1        2.388   2.613  -0.087  0.00  0.00    -0.297 N 
ATOM     19  H   LIG    1        2.587   3.478  -0.579  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.401   1.647  -0.242  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.293   0.337   0.235  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.346  -0.580   0.100  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        5.540  -0.194  -0.503  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        5.672   1.117  -0.957  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.620   2.030  -0.820  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.639  -0.983  -0.697  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        6.546  -2.331  -0.256  0.00  0.00    +0.277 C 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 6