REMARK  Name = BDB051721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.310   0.291  -0.034  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -3.217   1.135   0.276  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.139   2.575   0.655  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.733   3.160   0.367  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -0.593   2.198   0.598  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.754   0.827   0.477  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        0.232  -0.074   0.595  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        1.451   0.421   0.845  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        1.720   1.730   0.972  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.696   2.595   0.841  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -2.094   0.333   0.220  0.00  0.00    +0.092 A 
ATOM     12  N   LIG    1       -2.536  -0.913  -0.120  0.00  0.00    -0.253 N 
ATOM     13  N   LIG    1       -3.882  -0.968  -0.277  0.00  0.00    -0.165 NA
ENDROOT
BRANCH   1  17
ATOM     14  N   LIG    1       -6.558  -0.390  -0.430  0.00  0.00    -0.324 N 
ATOM     15  H   LIG    1       -7.549  -0.237  -0.524  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -6.142  -1.292  -0.632  0.00  0.00    +0.145 HD
ATOM     17  C   LIG    1       -5.736   0.648  -0.095  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -6.175   1.771   0.129  0.00  0.00    -0.269 OA
ENDBRANCH   1  17
BRANCH   8  19
ATOM     19  N   LIG    1        2.461  -0.520   0.954  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        2.127  -1.373   0.525  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.798  -0.093   0.561  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        4.803  -1.185   0.954  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1        4.958  -2.031  -0.300  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        4.962  -0.992  -1.406  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        3.921   0.035  -0.969  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   8  19
BRANCH  12  26
ATOM     26  C   LIG    1       -1.777  -2.134  -0.258  0.00  0.00    +0.257 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.180  -2.274  -1.631  0.00  0.00    +0.409 C 
ATOM     28  F   LIG    1       -0.412  -1.227  -1.996  0.00  0.00    -0.169 F 
ATOM     29  F   LIG    1       -2.125  -2.441  -2.583  0.00  0.00    -0.169 F 
ATOM     30  F   LIG    1       -0.385  -3.376  -1.675  0.00  0.00    -0.169 F 
ENDBRANCH  26  27
ENDBRANCH  12  26
TORSDOF 5