REMARK  Name = BDB014167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.741   0.132   0.573  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        2.722   0.501   1.880  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        3.906   0.787   2.458  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        5.123   0.716   1.802  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        5.133   0.323   0.464  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        3.917   0.038  -0.162  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        6.361   0.226  -0.296  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        7.569  -0.295   0.106  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1        8.364  -0.166  -0.995  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1        9.334  -0.436  -1.129  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1        7.702   0.391  -2.017  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1        6.463   0.625  -1.605  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1        8.072  -0.908   1.328  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1        8.257   0.008   2.310  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        7.241  -1.857   1.816  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        9.275  -1.504   1.123  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1       -0.676  -0.459  -0.386  0.00  0.00    -0.336 N 
ATOM     18  C   LIG    1        0.228  -0.092   0.569  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        1.460  -0.173  -0.049  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1        1.308  -0.593  -1.357  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        0.015  -0.758  -1.524  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -2.113  -0.530  -0.221  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.788   0.805  -0.527  0.00  0.00    +0.056 C 
BRANCH  23  27
ATOM     24  C   LIG    1       -7.077   0.490  -0.080  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1       -6.269   0.803   1.016  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.884   0.913   0.874  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.285   0.713  -0.374  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -5.096   0.394  -1.471  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -6.483   0.285  -1.325  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -9.280   0.119  -0.889  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -8.413   0.413   0.199  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 7