REMARK  Name = BDB014145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.648   0.815   0.697  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.606   2.157   0.485  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -2.746   2.753   0.082  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -3.936   2.079  -0.133  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.964   0.701   0.075  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.800   0.062   0.510  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -5.168  -0.078  -0.123  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -6.077   0.013  -1.152  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1       -6.991  -0.958  -0.868  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1       -7.822  -1.235  -1.382  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1       -6.678  -1.615   0.255  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1       -5.550  -1.092   0.718  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -6.199   0.836  -2.348  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1       -6.561   2.107  -2.050  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -5.048   0.901  -3.056  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -7.152   0.349  -3.187  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        1.649  -0.166   1.756  0.00  0.00    -0.332 N 
ATOM     18  C   LIG    1        0.780   0.820   1.383  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -0.414   0.175   1.133  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.279  -1.181   1.359  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        0.970  -1.351   1.734  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1        3.032   0.014   2.159  0.00  0.00    +0.160 C 
BRANCH  22  28
ATOM     23  C   LIG    1        6.635  -1.259  -2.235  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.734  -0.916  -1.086  0.00  0.00    -0.048 A 
ATOM     25  C   LIG    1        5.442  -1.868  -0.104  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        4.576  -1.551   0.938  0.00  0.00    +0.129 A 
ATOM     27  F   LIG    1        4.314  -2.482   1.867  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        3.976  -0.294   1.032  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.252   0.653   0.036  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        5.121   0.342  -1.015  0.00  0.00    +0.004 A 
ENDBRANCH  22  28
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 5