REMARK  Name = BDB064019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.552   1.629  -3.556  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.625   0.999  -2.521  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.471   0.516  -1.637  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.759   0.758  -1.911  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.071  -0.194  -0.587  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.353  -0.149  -0.788  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.733   0.543  -1.885  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.659   0.649  -2.254  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.923   0.317  -1.125  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.899   0.258   0.278  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.062  -0.140   0.962  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.242  -0.464   0.289  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.305  -0.837   1.096  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.933  -0.794   2.354  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.259  -0.384  -1.116  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.319  -0.313   2.658  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.105   0.010  -1.806  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.250  -0.751   0.034  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.786  -1.136   0.855  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.592  -0.261   0.279  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.628   1.000   1.137  0.00  0.00    +0.182 C 
ATOM     22  O   LIG    1       -4.846   0.959   1.899  0.00  0.00    -0.378 OA
ATOM     23  C   LIG    1       -5.456  -0.324   1.706  0.00  0.00    +0.162 C 
ATOM     24  C   LIG    1       -4.392  -1.227   1.126  0.00  0.00    +0.052 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3