REMARK  Name = BDB049750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.325  -0.471   0.004  0.00  0.00    +0.007 A 
ATOM      2  C   LIG    1        0.578   0.661   0.363  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.824   0.633   0.415  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.536  -0.527   0.113  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.792  -1.660  -0.248  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        0.611  -1.636  -0.301  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.179   1.134   0.255  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        5.833   1.475   0.426  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.830   0.520   0.164  0.00  0.00    +0.079 A 
ATOM     10  C   LIG    1        5.208  -0.752  -0.263  0.00  0.00    +0.040 A 
ATOM     11  S   LIG    1        3.795  -1.699  -0.503  0.00  0.00    -0.067 S 
ATOM     12  C   LIG    1        2.800  -0.373  -0.030  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1        6.556  -1.106  -0.438  0.00  0.00    +0.017 A 
ATOM     14  N   LIG    1        3.467   0.720   0.291  0.00  0.00    -0.239 NA
ATOM     15  C   LIG    1        7.534  -0.142  -0.173  0.00  0.00    +0.001 A 
ENDBRANCH   1  12
BRANCH   4  16
ATOM     16  N   LIG    1       -2.939  -0.624   0.137  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1       -3.281  -1.550  -0.064  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.944   0.318   0.390  0.00  0.00    +0.152 A 
ATOM     19  C   LIG    1       -5.291  -0.028   0.392  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1       -6.269   0.920   0.636  0.00  0.00    +0.183 A 
ATOM     21  N   LIG    1       -7.521   0.368   0.592  0.00  0.00    -0.216 NA
ATOM     22  C   LIG    1       -7.323  -0.902   0.325  0.00  0.00    +0.199 A 
ATOM     23  N   LIG    1       -6.006   2.213   0.885  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -4.698   2.478   0.868  0.00  0.00    +0.225 A 
ATOM     25  N   LIG    1       -5.992  -1.188   0.195  0.00  0.00    -0.340 N 
ATOM     26  H   LIG    1       -5.607  -2.099  -0.006  0.00  0.00    +0.167 HD
ATOM     27  N   LIG    1       -3.682   1.622   0.640  0.00  0.00    -0.218 NA
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3