REMARK  Name = BDB018389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.865   4.689   0.051  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.063   3.248   0.007  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.353   2.742  -0.060  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.377   3.417  -0.091  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.461   1.264  -0.098  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.370   0.477  -0.049  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.029   1.080   0.035  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.950   2.426   0.056  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.635  -0.976  -0.134  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -3.202  -1.661   0.951  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.444  -3.034   0.868  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.123  -3.730  -0.296  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.561  -3.056  -1.380  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.318  -1.684  -1.300  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1        0.163   0.283   0.101  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.310   0.470  -0.642  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        2.178  -0.510  -0.251  0.00  0.00    -0.270 N 
ATOM     18  N   LIG    1        1.683  -1.311   0.711  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        0.452  -0.832   0.916  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.525  -0.735  -0.758  0.00  0.00    +0.153 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.558  -0.178   0.166  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        5.938  -0.706   0.086  0.00  0.00    +0.254 C 
ATOM     23  F   LIG    1        6.258  -1.691  -0.819  0.00  0.00    -0.205 F 
ATOM     24  F   LIG    1        7.008   0.153   0.159  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.136  -1.017   1.291  0.00  0.00    +0.087 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4