REMARK  Name = BDB013860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.740  -0.409  -0.131  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -0.878   0.608  -0.200  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -3.173  -0.454   0.249  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.969  -1.091  -0.118  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.069  -2.471  -0.317  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -3.212  -3.199  -0.243  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -4.334  -2.537   0.086  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -4.368  -1.182   0.343  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -2.330   1.806   0.176  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -3.198   1.011   0.492  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -4.314   1.421   1.123  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -4.180   2.386   1.236  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1        0.318  -0.873  -1.018  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.463   0.114  -0.984  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        2.259   0.231   0.171  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        3.316   1.142   0.219  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        3.573   1.944  -0.897  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.786   1.844  -2.044  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        1.732   0.933  -2.088  0.00  0.00    +0.005 A 
BRANCH  16  20
ATOM     20  O   LIG    1        4.161   1.353   1.270  0.00  0.00    -0.406 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.967   0.577   2.440  0.00  0.00    +0.575 C 
ATOM     22  F   LIG    1        2.755   0.808   2.986  0.00  0.00    -0.133 F 
ATOM     23  F   LIG    1        4.105  -0.741   2.181  0.00  0.00    -0.133 F 
ATOM     24  F   LIG    1        4.908   0.924   3.348  0.00  0.00    -0.133 F 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 7