REMARK  Name = BDB056935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.077   0.745   0.499  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -2.873  -0.200   1.019  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.314  -1.372   1.346  0.00  0.00    +0.196 A 
ATOM      4  N   LIG    1       -1.018  -1.680   1.199  0.00  0.00    -0.206 NA
ATOM      5  C   LIG    1       -0.231  -0.742   0.654  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -0.733   0.487   0.281  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.522   5.808  -0.185  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -4.007   4.566   0.387  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -4.645   3.393  -0.253  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -4.097   2.051   0.284  0.00  0.00    +0.122 C 
ATOM     11  N   LIG    1       -2.626   1.988   0.121  0.00  0.00    -0.313 N 
ATOM     12  C   LIG    1       -1.951   3.149   0.746  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1       -2.542   4.474   0.208  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   5  14
ATOM     14  N   LIG    1        1.104  -1.124   0.499  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        1.187  -2.077   0.835  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.195  -0.475   0.047  0.00  0.00    +0.146 A 
ATOM     17  N   LIG    1        2.287   0.784  -0.382  0.00  0.00    -0.158 NA
ATOM     18  N   LIG    1        3.577   0.931  -0.719  0.00  0.00    -0.275 N 
ATOM     19  H   LIG    1        3.868   1.823  -1.102  0.00  0.00    +0.189 HD
ATOM     20  C   LIG    1        4.348  -0.182  -0.509  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        3.457  -1.117  -0.017  0.00  0.00    +0.073 A 
BRANCH  20  22
ATOM     22  C   LIG    1        5.777  -0.258  -0.803  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        6.601   0.870  -0.706  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        7.960   0.767  -0.992  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        8.735   1.856  -0.892  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        8.528  -0.441  -1.375  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        7.722  -1.571  -1.472  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.355  -1.480  -1.185  0.00  0.00    +0.010 A 
ENDBRANCH  20  22
ENDBRANCH  14  16
ENDBRANCH   5  14
BRANCH   3  29
ATOM     29  S   LIG    1       -3.390  -2.602   2.049  0.00  0.00    -0.050 S 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.010  -4.010   1.025  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1       -3.296  -4.004  -0.345  0.00  0.00    +0.015 A 
ATOM     32  C   LIG    1       -3.007  -5.122  -1.131  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -2.439  -6.255  -0.550  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.162  -6.273   0.816  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -2.449  -5.154   1.602  0.00  0.00    +0.015 A 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 6