REMARK  Name = BDB064022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.410  -2.308  -2.339  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.378  -1.600  -1.353  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.804  -1.012  -0.666  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.053  -1.238  -1.093  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.383  -0.269   0.417  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.913  -0.383   0.408  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.405  -1.139  -0.598  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.377  -1.357  -0.770  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.296  -0.727  -0.490  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.379   0.552   0.082  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.610   0.985   0.606  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.754   0.186   0.563  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.894   0.746   1.117  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.613   1.945   1.571  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.664  -1.089  -0.029  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.000   2.481   1.369  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.441  -1.528  -0.552  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.700   0.218   1.338  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.170   0.850   1.931  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.129   0.501   1.262  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -3.976  -0.775   1.090  0.00  0.00    +0.182 C 
ATOM     22  O   LIG    1       -4.145  -1.070  -0.302  0.00  0.00    -0.378 OA
ATOM     23  C   LIG    1       -4.965  -0.104  -0.971  0.00  0.00    +0.160 C 
ATOM     24  C   LIG    1       -4.799   1.318  -0.434  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -3.411   1.530   0.156  0.00  0.00    +0.027 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3