REMARK  Name = BDB063989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.126  -4.190  -0.571  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.721  -3.138  -0.120  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.460  -1.866   0.105  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.753  -1.733  -0.215  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.604  -0.931   0.646  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.537  -1.546   0.740  0.00  0.00    +0.187 C 
ATOM      7  N   LIG    1        0.529  -2.825   0.303  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.284  -3.485   0.327  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.577  -0.524  -0.054  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.573  -0.270  -1.012  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.393   0.863  -0.858  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.254   1.734   0.224  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.131   2.807   0.242  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -6.917   2.745  -0.808  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.264   1.460   1.186  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -6.670   1.426  -1.871  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.443   0.334   1.041  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.651  -0.957   1.236  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1        1.506   0.009   1.516  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.022  -1.358   1.023  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.462  -1.143  -0.426  0.00  0.00    +0.040 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.370   0.306  -0.910  0.00  0.00    +0.124 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.193   1.224  -0.152  0.00  0.00    -0.337 N 
ATOM     24  C   LIG    1        3.740   2.205   0.681  0.00  0.00    +0.199 A 
ATOM     25  N   LIG    1        4.737   2.847   1.247  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1        5.874   2.281   0.731  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1        5.559   1.272  -0.148  0.00  0.00    +0.106 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6