REMARK  Name = BDB008645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.127   1.377   2.112  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1        1.744   1.693   0.829  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        2.259   2.964   0.596  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        2.036   3.579  -0.646  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        1.297   2.893  -1.622  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        0.771   1.612  -1.386  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        2.924   3.293   1.794  0.00  0.00    +0.240 A 
ATOM      8  F   LIG    1        3.570   4.450   1.992  0.00  0.00    -0.182 F 
ATOM      9  C   LIG    1        1.010   0.994  -0.139  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        2.857   2.335   2.719  0.00  0.00    -0.140 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.022   0.834  -2.442  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -0.219   1.529  -3.798  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -1.310   0.323  -1.911  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -1.418  -1.057  -1.665  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -0.452  -1.818  -1.786  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.792  -1.601  -1.221  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -2.978  -1.333   0.181  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -3.711  -2.352   0.871  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.764  -3.033  -0.014  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -4.192  -3.695  -1.198  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.064  -4.691  -1.014  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.876  -3.111  -1.538  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.454   1.213  -1.878  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -2.413   2.635  -1.374  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.117   1.589  -0.576  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        1.825   0.155   2.835  0.00  0.00    +0.146 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.776  -0.990   2.503  0.00  0.00    +0.051 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.206  -0.723   2.967  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        5.525  -2.039   1.490  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.009  -1.895   2.807  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8