REMARK  Name = BDB021169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.203  -0.323  -0.511  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.910   0.078   0.831  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1        0.323  -0.278   1.340  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.358   0.142   2.647  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1       -0.840   0.792   2.873  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1        1.288  -0.970   0.585  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.013  -1.347  -0.633  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.609   0.752   1.726  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1       -0.224  -1.013  -1.142  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -4.233  -0.697   0.602  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -3.726  -0.170  -0.693  0.00  0.00    +0.044 A 
ATOM     12  N   LIG    1       -4.551   0.306  -1.688  0.00  0.00    -0.265 N 
ATOM     13  N   LIG    1       -3.884   0.658  -2.809  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1       -2.603   0.485  -2.485  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -2.438  -0.022  -1.180  0.00  0.00    +0.027 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -6.008   0.436  -1.659  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1       -6.669  -0.648  -2.509  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1       -6.468   1.832  -2.083  0.00  0.00    +0.032 C 
ENDBRANCH  12  16
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  C   LIG    1       -1.276   1.423   4.114  0.00  0.00    +0.357 C 
ATOM     20  O   LIG    1       -2.356   1.962   4.314  0.00  0.00    -0.243 OA
BRANCH  19  21
ATOM     21  OXT LIG    1       -0.360   1.381   5.112  0.00  0.00    -0.476 OA
ATOM     22  HXT LIG    1       -0.827   1.839   5.841  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   6  23
ATOM     23  N   LIG    1        2.526  -1.273   1.109  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.006  -1.895   0.461  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.420  -0.214   1.566  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.804  -0.408   1.015  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.107  -0.217  -0.331  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.227   0.126  -1.475  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        5.294   0.462  -2.517  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        6.527  -0.203  -2.157  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        6.396  -0.419  -0.810  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        7.433  -0.820   0.008  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        7.156  -1.008   1.362  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        5.859  -0.801   1.850  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.633  -0.994   3.158  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7