REMARK  Name = BDB063913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.015  -3.544  -0.603  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.127  -2.388  -0.248  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.937  -1.370  -0.022  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.232  -1.645  -0.220  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.359  -0.198   0.417  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.914  -0.447   0.432  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.253  -1.697   0.053  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.174  -2.095   0.079  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.373  -0.736  -0.017  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.604  -1.298   0.364  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.717  -0.454   0.531  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.638   0.924   0.318  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.816   1.626   0.520  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.764   0.792   0.882  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.405   1.474  -0.078  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.326  -0.858   1.000  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.291   0.640  -0.247  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.858   0.444   0.840  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.351   1.209   1.300  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -2.797   1.100  -0.099  0.00  0.00    +0.098 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.457   0.168  -1.123  0.00  0.00    +0.028 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.422  -0.865  -0.600  0.00  0.00    -0.009 C 
ATOM     23  C   LIG    1       -4.712  -1.129   0.859  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -5.731  -0.424   0.010  0.00  0.00    +0.004 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -2.059   2.254  -0.812  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -1.560   3.184   0.153  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -2.319   3.671   0.519  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 7