REMARK  Name = BDB014139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.774   1.035  -0.166  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.877   2.085   0.690  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -3.074   2.288   1.276  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -4.184   1.489   1.063  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -4.063   0.406   0.192  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.837   0.185  -0.441  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -5.175  -0.477  -0.089  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -6.088  -1.000   0.799  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1       -6.891  -1.779   0.019  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1       -7.687  -2.353   0.281  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1       -6.509  -1.752  -1.263  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1       -5.445  -0.964  -1.342  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -6.298  -0.904   2.237  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1       -6.797   0.305   2.592  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -5.160  -1.094   2.944  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -7.191  -1.833   2.668  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        1.609   1.035  -1.399  0.00  0.00    -0.332 N 
ATOM     18  C   LIG    1        0.639   1.611  -0.627  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -0.479   0.821  -0.799  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.200  -0.216  -1.668  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        1.060  -0.058  -2.008  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1        2.960   1.530  -1.591  0.00  0.00    +0.157 C 
BRANCH  22  27
ATOM     23  C   LIG    1        6.906  -1.948   0.917  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.911  -1.029   0.272  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        5.821  -0.947  -1.121  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.871  -0.118  -1.723  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.985   0.635  -0.942  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1        4.069   0.540   0.455  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.019  -0.289   1.055  0.00  0.00    +0.004 A 
ENDBRANCH  22  27
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 5