REMARK  Name = BDB048290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.339   0.840  -2.020  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        0.153   0.329  -2.069  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -0.692   0.573  -3.122  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.292   1.400  -4.240  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -1.931  -0.013  -3.066  0.00  0.00    +0.238 C 
ATOM      6  O   LIG    1       -2.815   0.070  -3.909  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -2.103  -0.798  -1.807  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -3.478  -0.858  -1.153  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -2.887  -2.087  -1.804  0.00  0.00    +0.038 C 
ATOM     10  S   LIG    1       -0.614  -0.721  -0.898  0.00  0.00    -0.073 S 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.893   0.054   1.239  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1        2.980   1.114   1.293  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        2.131   1.372   0.214  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.175   0.570  -0.929  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        3.103  -0.470  -0.996  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        3.955  -0.731   0.081  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.124   0.557   2.270  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        4.820  -0.217   2.397  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  C   LIG    1       -3.664  -0.775   0.345  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1       -3.433   0.423   1.037  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.631   0.488   2.410  0.00  0.00    +0.116 A 
ATOM     22  N   LIG    1       -4.041  -0.560   3.137  0.00  0.00    -0.241 NA
ATOM     23  C   LIG    1       -4.275  -1.710   2.472  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -4.112  -1.861   1.104  0.00  0.00    +0.024 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -3.382   1.668   3.107  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -3.909   2.443   2.721  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -3.631   1.489   4.076  0.00  0.00    +0.144 HD
ENDBRANCH  21  25
ENDBRANCH   8  19
TORSDOF 4