REMARK  Name = BDB014763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.449   2.985  -3.959  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.110   2.537  -3.432  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.098   1.819  -2.242  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.762   1.482  -1.715  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.855   0.433  -0.666  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.845  -0.293   0.023  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.399  -1.132   0.907  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.725  -0.970   0.771  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.047  -0.022  -0.144  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.388   0.447  -0.563  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.232   1.800  -1.291  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.080   2.801  -4.053  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.474  -0.100  -0.227  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.715   0.558  -0.957  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.634  -0.693   0.326  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.893  -0.268  -0.142  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.092  -0.799   0.365  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.026  -1.778   1.361  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.790  -2.210   1.838  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.608  -1.670   1.324  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.369  -0.336  -0.150  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.542  -0.262   0.575  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.488   0.237  -0.274  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.874   0.498   0.028  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.018   0.499  -1.506  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.731   0.149  -1.429  0.00  0.00    +0.142 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.614  -1.769   1.592  0.00  0.00    +0.152 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.649  -1.263   3.024  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.627  -2.075   3.825  0.00  0.00    +0.392 C 
ATOM     30  F   LIG    1       -4.678  -1.644   5.103  0.00  0.00    -0.171 F 
ATOM     31  F   LIG    1       -4.293  -3.381   3.840  0.00  0.00    -0.171 F 
ATOM     32  F   LIG    1       -5.872  -1.971   3.309  0.00  0.00    -0.171 F 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 6