REMARK  Name = BDB058986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.360  -2.136   0.707  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.475  -1.539  -0.248  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.483  -0.150  -0.432  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.365   0.651   0.340  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.203   0.080   1.310  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.191  -1.313   1.484  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.835  -3.941  -1.163  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.064  -4.462   0.021  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -0.367  -3.593   0.894  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        0.342  -4.143   1.980  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        0.370  -5.521   2.197  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -0.311  -6.360   1.328  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -0.284  -7.683   1.531  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -1.020  -5.847   0.248  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.384   0.418  -1.475  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        1.758   1.735  -1.315  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        1.575   2.196  -0.435  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        1.775  -0.289  -2.398  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.740   2.353  -2.175  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.087   2.398  -1.502  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        4.521   3.554  -0.837  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.762   3.579  -0.198  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.577   2.448  -0.210  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.152   1.290  -0.859  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.912   1.264  -1.499  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  26
ATOM     26  C   LIG    1       -2.124   0.956   2.132  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.229   1.446   1.337  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1       -3.247   2.701   0.726  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -2.333   3.603   0.792  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1       -2.631   4.412   0.246  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1       -4.462   2.729   0.032  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1       -4.884   3.783  -0.856  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1       -5.114   1.512   0.190  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1       -4.368   0.734   0.987  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6