REMARK  Name = BDB048278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.167  -0.418   3.653  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -0.428  -0.268   2.418  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1       -1.064  -0.204   1.204  0.00  0.00    +0.168 C 
ATOM      4  N   LIG    1       -2.350  -0.278   1.104  0.00  0.00    -0.226 NA
ATOM      5  S   LIG    1        0.109  -0.018  -0.082  0.00  0.00    -0.049 S 
ATOM      6  C   LIG    1        1.436  -0.032   1.010  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1        2.741   0.091   0.733  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1        0.946  -0.179   2.409  0.00  0.00    +0.259 C 
ATOM      9  O   LIG    1        1.684  -0.211   3.385  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.961  -0.209  -0.154  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -3.235  -1.379  -0.869  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -3.863  -1.315  -2.115  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.234  -0.080  -2.645  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.983   1.089  -1.928  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.355   1.023  -0.683  0.00  0.00    +0.028 A 
ENDBRANCH   4  10
BRANCH   7  16
ATOM     16  C   LIG    1        3.339   0.257  -0.597  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1        4.100   1.394  -0.866  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        4.675   1.521  -2.120  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        4.550   0.601  -3.100  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        3.817  -0.496  -2.812  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.204  -0.714  -1.589  0.00  0.00    +0.027 A 
ENDBRANCH   7  16
TORSDOF 2