REMARK  Name = BDB014164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.026   0.891  -0.211  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -1.245   0.289  -0.041  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -2.149   1.324   0.112  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -1.488   2.533   0.031  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.223   2.240  -0.159  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1        4.300   0.706   2.503  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        4.570   0.265   1.389  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        3.605   0.052   0.403  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        2.228   0.433   0.735  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1        1.238   0.204  -0.420  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1        1.885   0.559  -1.767  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.189  -0.213  -2.008  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1        3.774  -0.838  -0.742  0.00  0.00    +0.108 C 
BRANCH   7  14
ATOM     14  C   LIG    1        5.987  -0.027   1.087  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        6.625   0.591   0.005  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        7.971   0.321  -0.247  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        8.676  -0.548   0.587  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.044  -1.143   1.680  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.699  -0.877   1.938  0.00  0.00    +0.013 A 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1       -3.587   1.192   0.335  0.00  0.00    +0.091 A 
ATOM     21  N   LIG    1       -4.217   2.273   0.854  0.00  0.00    -0.253 NA
ATOM     22  C   LIG    1       -5.541   2.180   1.086  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -6.293   1.051   0.816  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -5.649  -0.054   0.262  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.271   0.019   0.029  0.00  0.00    +0.040 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -6.349  -1.284  -0.057  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -7.635  -1.448  -0.521  0.00  0.00    +0.166 A 
ATOM     28  N   LIG    1       -7.758  -2.798  -0.674  0.00  0.00    -0.253 N 
ATOM     29  H   LIG    1       -8.551  -3.342  -1.002  0.00  0.00    +0.191 HD
ATOM     30  N   LIG    1       -6.628  -3.436  -0.349  0.00  0.00    -0.067 NA
ATOM     31  N   LIG    1       -5.750  -2.517   0.026  0.00  0.00    -0.129 NA
BRANCH  27  32
ATOM     32  C   LIG    1       -8.736  -0.557  -0.863  0.00  0.00    +0.436 C 
ATOM     33  F   LIG    1       -8.343   0.487  -1.628  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1       -9.703  -1.212  -1.556  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1       -9.332  -0.047   0.242  0.00  0.00    -0.164 F 
ENDBRANCH  27  32
ENDBRANCH  24  26
ENDBRANCH   3  20
TORSDOF 5