REMARK  Name = BDB014775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.020   4.667   1.269  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.894   3.534   0.790  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.259   2.351   0.431  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.796   2.272   0.228  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.335   0.860   0.218  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.030   0.297   0.172  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.098  -1.038   0.179  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.411  -1.332   0.220  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.192  -0.220   0.238  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.670  -0.130   0.290  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.087   1.282  -0.168  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.115   3.678   0.743  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.085   1.070   0.132  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.041   2.072   0.146  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.457   0.735   0.059  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.404   1.772   0.064  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.778   1.507  -0.003  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.258   0.193  -0.078  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        3.313  -0.842  -0.082  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.938  -0.574  -0.013  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.700  -0.090  -0.152  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        6.227  -0.892  -1.181  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        7.597  -1.161  -1.253  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        8.449  -0.630  -0.294  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1        9.762  -0.887  -0.363  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        7.960   0.164   0.734  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        6.590   0.433   0.804  0.00  0.00    +0.011 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -2.835  -2.726   0.260  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.082  -3.276  -1.115  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -3.002  -4.761  -1.363  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -1.950  -3.849  -1.929  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5