REMARK  Name = BDB016114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.411   1.892   0.326  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.471   0.878   0.224  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.754   1.153  -0.067  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.173   2.463  -0.297  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.193   3.433  -0.150  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.095   3.184   0.168  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.553  -0.218   0.656  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.231   0.186   0.439  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.816   1.523   0.580  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.795   2.457   0.955  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.120   2.064   1.191  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.499   0.727   1.044  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.855  -4.917   1.488  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.413  -3.696   0.861  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        3.876  -3.741  -0.378  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.584  -2.462  -0.630  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        3.881  -1.611   0.456  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.434  -2.442   1.403  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.525   2.825  -0.677  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.222   3.912  -0.189  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.447   3.882  -0.794  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.534   4.811  -0.606  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.598   2.850  -1.642  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.426   2.213  -1.577  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.652   0.066  -0.185  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -3.517   0.323   0.293  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.150  -1.225   0.326  0.00  0.00    +0.127 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.251  -1.941  -0.671  0.00  0.00    +0.203 C 
BRANCH  28  29
ATOM     29  S   LIG    1       -0.592  -3.413   0.098  0.00  0.00    +0.028 S 
ATOM     30  O   LIG    1        0.216  -3.054   1.239  0.00  0.00    -0.158 OA
ATOM     31  O   LIG    1       -1.634  -4.410   0.185  0.00  0.00    -0.158 OA
BRANCH  29  32
ATOM     32  N   LIG    1        0.478  -3.977  -1.060  0.00  0.00    -0.208 NA
ATOM     33  H   LIG    1        1.441  -3.987  -0.696  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        0.188  -4.894  -1.403  0.00  0.00    +0.144 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 8