REMARK  Name = BDB056544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.120  -0.466   1.299  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.086   0.275   1.884  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.227   0.150   1.417  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.528  -0.713   0.356  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -0.491  -1.446  -0.235  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.821  -1.322   0.231  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.902  -0.827  -0.131  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -3.752   0.137  -0.656  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1       -3.442   1.573  -0.887  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1       -5.018  -0.319  -0.997  0.00  0.00    -0.252 NA
ATOM     11  C   LIG    1       -5.109  -1.603  -0.738  0.00  0.00    +0.156 A 
ATOM     12  S   LIG    1       -3.715  -2.342  -0.077  0.00  0.00    -0.075 S 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  C   LIG    1        2.542  -0.324   1.781  0.00  0.00    +0.139 C 
BRANCH  13  16
ATOM     14  C   LIG    1        4.691   1.255  -0.903  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        4.113   0.155  -0.054  0.00  0.00    +0.210 C 
ATOM     16  N   LIG    1        3.277   0.597   0.943  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1        2.966   1.558   0.929  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        4.370  -1.027  -0.261  0.00  0.00    -0.276 OA
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 3