REMARK  Name = BDB014169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.191  -1.749  -0.960  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -3.218  -2.629  -1.044  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -4.261  -2.453  -0.211  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -4.338  -1.438   0.726  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.271  -0.546   0.824  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.185  -0.701  -0.045  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.256   0.546   1.778  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -3.750   0.571   3.063  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1       -3.444   1.824   3.507  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1       -3.627   2.252   4.410  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1       -2.790   2.530   2.577  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1       -2.659   1.754   1.511  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -4.426  -0.383   3.932  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1       -3.830  -1.597   3.936  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -4.446   0.051   5.218  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -5.718  -0.569   3.567  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        0.681  -1.636  -3.134  0.00  0.00    -0.336 N 
ATOM     18  C   LIG    1       -0.231  -0.977  -2.358  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -1.076  -1.959  -1.877  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.704  -3.188  -2.387  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        0.347  -2.958  -3.140  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1        1.802  -1.038  -3.832  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.094  -1.033  -3.010  0.00  0.00    +0.056 C 
BRANCH  23  27
ATOM     24  C   LIG    1        2.830   1.677   0.353  0.00  0.00    -0.048 A 
ATOM     25  C   LIG    1        3.139   2.159  -0.925  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.241   1.284  -2.008  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.042  -0.091  -1.831  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        2.748  -0.574  -0.550  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        2.644   0.302   0.532  0.00  0.00    +0.004 A 
BRANCH  24  31
ATOM     30  C   LIG    1        4.058   2.803   2.228  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        2.722   2.622   1.522  0.00  0.00    +0.032 C 
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 7