REMARK  Name = BDB014136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.235   1.403   0.592  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -2.004   2.505   0.767  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -3.302   2.433   0.414  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -3.897   1.297  -0.103  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.112   0.158  -0.267  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.756   0.220   0.075  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.644  -1.079  -0.806  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -4.890  -1.633  -0.616  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1       -4.842  -2.799  -1.322  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1       -5.554  -3.513  -1.440  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1       -3.647  -2.976  -1.899  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1       -2.897  -1.930  -1.583  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -6.086  -1.261   0.129  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1       -5.810  -0.866   1.393  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -6.952  -2.304   0.222  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -6.761  -0.251  -0.471  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        2.267   1.103   1.445  0.00  0.00    -0.332 N 
ATOM     18  C   LIG    1        1.095   0.504   1.066  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        0.171   1.529   0.975  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1        0.774   2.727   1.313  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        2.024   2.437   1.590  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1        3.531   0.438   1.703  0.00  0.00    +0.160 C 
BRANCH  22  25
ATOM     23  F   LIG    1        3.430  -2.078   0.429  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.166  -1.126  -0.162  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        4.263   0.139   0.425  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        5.032   1.119  -0.220  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        5.690   0.825  -1.417  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.585  -0.446  -1.984  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        4.819  -1.425  -1.354  0.00  0.00    +0.039 A 
ENDBRANCH  22  25
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 5