REMARK  Name = BDB063332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.778   0.384   0.306  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1        2.146   0.578  -0.933  0.00  0.00    +0.190 A 
ATOM      3  N   LIG    1        0.782   0.389  -0.958  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.410   0.603  -2.254  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.463   0.923  -2.972  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.026   0.035   0.171  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.639  -0.145   1.312  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.557   0.908  -2.139  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        2.009   0.037   1.355  0.00  0.00    +0.145 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        5.240   0.812  -0.990  0.00  0.00    +0.200 C 
ATOM     11  S   LIG    1        4.472   0.579   0.588  0.00  0.00    -0.001 S 
ATOM     12  O   LIG    1        4.672   1.807   1.339  0.00  0.00    -0.169 OA
ATOM     13  O   LIG    1        4.993  -0.670   1.119  0.00  0.00    -0.169 OA
ENDBRANCH   1  11
BRANCH   6  14
ATOM     14  N   LIG    1       -1.335  -0.118   0.042  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.816   0.358  -0.715  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.193  -0.264   1.209  0.00  0.00    +0.178 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.638  -0.372   0.858  0.00  0.00    +0.122 A 
ATOM     18  O   LIG    1       -4.094   0.478  -0.111  0.00  0.00    -0.466 OA
ATOM     19  C   LIG    1       -5.417   0.218  -0.274  0.00  0.00    +0.195 A 
ATOM     20  C   LIG    1       -5.818  -0.789   0.573  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -4.669  -1.173   1.305  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 4