REMARK  Name = BDB064021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.766  -2.062  -3.311  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.472  -1.323  -2.393  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.321  -0.838  -1.272  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.596  -1.223  -1.131  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.580   0.003  -0.469  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.596   0.030  -1.021  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.719  -0.727  -2.134  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.520  -0.816  -2.731  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.520  -0.821  -0.059  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.520   0.475   0.481  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.456   0.797   1.480  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.394  -0.130   1.941  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.252   0.330   2.927  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.966   1.582   3.203  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.397  -1.421   1.380  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.679   2.285   2.321  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.467  -1.750   0.385  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.624   0.762  -0.522  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.380   1.174   0.375  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.033   0.438  -0.680  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -3.429  -0.785   0.163  0.00  0.00    +0.182 C 
ATOM     22  O   LIG    1       -4.830  -1.051   0.057  0.00  0.00    -0.378 OA
ATOM     23  C   LIG    1       -5.623   0.031   0.546  0.00  0.00    +0.160 C 
ATOM     24  C   LIG    1       -5.366   1.293  -0.268  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -3.882   1.647  -0.268  0.00  0.00    +0.027 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3