REMARK  Name = BDB057160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.468  -0.709  -0.060  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -3.368  -1.711   0.206  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -3.134  -2.671   0.408  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -4.635  -1.185   0.163  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -4.444   0.162  -0.136  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -5.569   1.004  -0.253  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -6.847   0.450  -0.063  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -6.990  -0.900   0.234  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -8.220  -1.402   0.410  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -5.894  -1.756   0.357  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -3.096   0.432  -0.268  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        2.827  -0.001  -0.316  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1        1.407  -0.542  -0.193  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.076  -1.880  -0.088  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1       -0.335  -2.081  -0.009  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -1.044  -0.897  -0.099  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        2.146  -2.924  -0.069  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        3.442  -2.360  -0.679  0.00  0.00    +0.086 C 
ATOM     19  S   LIG    1        0.016   0.439  -0.296  0.00  0.00    -0.088 S 
ATOM     20  N   LIG    1        3.820  -1.075  -0.071  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.711  -0.780  -0.464  0.00  0.00    +0.123 HD
BRANCH  12  22
ATOM     22  C   LIG    1        3.078   1.174   0.662  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.882   2.251  -0.812  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        4.436   1.913   0.608  0.00  0.00    -0.015 C 
ATOM     25  C   LIG    1        5.550   1.208   1.382  0.00  0.00    +0.007 C 
ENDBRANCH  22  24
ENDBRANCH  12  22
ENDBRANCH   1  16
BRANCH   6  26
ATOM     26  C   LIG    1       -5.445   2.446  -0.568  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -6.433   3.163  -0.669  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -4.188   2.947  -0.741  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -4.074   3.928  -0.951  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -3.363   2.356  -0.653  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4