REMARK  Name = BDB014170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.699  -1.744   0.895  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.827  -1.195   0.349  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.876  -1.707   1.090  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        2.386  -2.554   2.067  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        1.082  -2.558   1.919  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.296  -1.424   0.890  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        5.168  -2.304   1.440  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        6.484  -2.079   1.264  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.995  -1.000   0.565  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        6.099  -0.085   0.017  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.727  -0.310   0.176  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.537   1.077  -0.733  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        7.644   1.867  -0.527  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        7.550   2.823  -1.496  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        8.165   3.608  -1.692  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        6.454   2.657  -2.246  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        5.817   1.591  -1.784  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        8.742   1.885   0.432  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        9.426   3.056   0.376  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        9.640   0.900   0.186  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        8.320   1.736   1.709  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -0.663  -1.520   0.455  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.303  -0.331   1.169  0.00  0.00    +0.056 C 
BRANCH  23  27
ATOM     24  C   LIG    1       -5.391   0.260  -0.200  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -5.101  -0.553   0.907  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.786  -0.738   1.353  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.719  -0.110   0.705  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -2.988   0.700  -0.400  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.303   0.881  -0.842  0.00  0.00    +0.004 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -7.904  -0.266   0.095  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -6.823   0.485  -0.715  0.00  0.00    -0.013 C 
ATOM     32  C   LIG    1       -6.931   0.001  -2.177  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -7.167   1.989  -0.651  0.00  0.00    +0.015 C 
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7