REMARK  Name = BDB014174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.237   1.823  -1.220  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1       -0.095   1.468  -0.557  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.904   1.487  -1.513  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.373   1.873  -2.730  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.905   2.081  -2.517  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.314   1.158  -1.303  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.160   1.472  -2.315  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.467   1.191  -2.155  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.994   0.593  -1.025  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.122   0.254   0.007  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.762   0.552  -0.134  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.579  -0.374   1.231  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        5.559  -1.328   1.392  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        5.553  -1.580   2.733  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        6.120  -2.229   3.271  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        4.629  -0.849   3.367  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        4.015  -0.109   2.454  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        6.461  -2.046   0.500  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        7.467  -1.253   0.059  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        5.830  -2.541  -0.589  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        7.044  -3.097   1.132  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -2.563   1.946  -0.644  0.00  0.00    +0.131 C 
BRANCH  22  30
ATOM     23  F   LIG    1       -2.216  -3.994   1.622  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -2.539  -2.859   0.987  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -3.591  -2.085   1.462  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -3.943  -0.892   0.811  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1       -5.148  -0.133   1.310  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -5.305   1.259   0.706  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.993   1.241  -0.786  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -3.537   0.814  -1.051  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -3.219  -0.489  -0.331  0.00  0.00    -0.039 A 
ATOM     32  C   LIG    1       -2.172  -1.303  -0.803  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -1.830  -2.482  -0.142  0.00  0.00    +0.038 A 
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 5