REMARK  Name = BDB048251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.730  -0.806  -1.174  0.00  0.00    -0.225 NA
ATOM      2  C   LIG    1       -0.074   0.195  -1.026  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -1.328   0.216  -1.585  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1       -2.047   1.385  -1.435  0.00  0.00    +0.259 C 
ATOM      5  O   LIG    1       -3.143   1.631  -1.921  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -1.290   2.350  -0.593  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -1.800   3.544  -0.263  0.00  0.00    +0.028 C 
ATOM      8  S   LIG    1        0.223   1.677  -0.141  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.555  -0.803   0.594  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1        4.372  -0.312  -0.705  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.102  -0.310  -1.288  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.998  -0.788  -0.580  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        2.182  -1.305   0.704  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.450  -1.309   1.290  0.00  0.00    +0.006 A 
BRANCH   9  16
ATOM     15  C   LIG    1        6.668  -2.116   0.916  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        5.927  -0.823   1.218  0.00  0.00    +0.032 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   7  17
ATOM     17  C   LIG    1       -1.158   4.568   0.569  0.00  0.00    -0.021 A 
ATOM     18  C   LIG    1       -1.786   4.988   1.741  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -1.175   5.972   2.501  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -0.005   6.558   2.170  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        0.579   6.142   1.026  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        0.047   5.167   0.199  0.00  0.00    +0.027 A 
ENDBRANCH   7  17
BRANCH   3  23
ATOM     23  C   LIG    1       -1.858  -0.885  -2.381  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.622  -1.973  -1.591  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -1.749  -2.745  -0.596  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -2.477  -3.964  -0.021  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -4.001  -3.835  -0.036  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.445  -2.396   0.174  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.889  -1.446  -0.893  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5