REMARK  Name = BDB014141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.992  -1.551  -1.477  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        2.478  -2.475  -2.340  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        3.604  -2.173  -3.015  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        4.294  -0.986  -2.859  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.803  -0.042  -1.956  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.622  -0.327  -1.265  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.516   1.209  -1.786  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        4.688   1.949  -0.638  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1        5.456   3.002  -1.039  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1        5.819   3.782  -0.499  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1        5.759   2.923  -2.340  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1        5.195   1.820  -2.811  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1        4.276   1.812   0.753  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1        4.952   2.674   1.556  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        4.493   0.568   1.240  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        2.958   2.082   0.919  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1       -0.836  -2.033   0.715  0.00  0.00    -0.332 N 
ATOM     18  C   LIG    1        0.363  -1.420   0.459  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        0.762  -1.904  -0.773  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.174  -2.799  -1.251  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1       -1.117  -2.852  -0.340  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -1.631  -1.901   1.922  0.00  0.00    +0.157 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -5.149   0.530   1.255  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -3.887   1.121   1.307  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -2.749   0.334   1.524  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -2.857  -1.054   1.693  0.00  0.00    -0.028 A 
ATOM     27  C   LIG    1       -4.128  -1.640   1.640  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -5.261  -0.852   1.424  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -6.269   2.579   0.817  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.335   1.179   1.052  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 6