REMARK  Name = BDB003553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.631   0.528   1.051  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -0.895   0.530  -0.321  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.164   0.135  -0.779  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -3.172  -0.259   0.118  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -2.885  -0.254   1.490  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.631   0.144   1.956  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.498  -0.665  -0.378  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -5.666   0.111  -0.198  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -6.898  -0.356  -0.682  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -6.985  -1.574  -1.356  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.842  -2.340  -1.551  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.612  -1.891  -1.066  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  S   LIG    1       -5.678   1.698   0.640  0.00  0.00    -0.128 S 
ATOM     14  C   LIG    1       -5.162   2.748  -0.744  0.00  0.00    +0.090 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  N   LIG    1        1.600  -0.047   1.913  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        0.654   0.937   1.639  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        0.796   2.124   1.909  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        1.390  -1.484   1.776  0.00  0.00    +0.132 C 
BRANCH  15  19
ATOM     19  C   LIG    1        2.884   0.381   2.468  0.00  0.00    +0.143 C 
BRANCH  19  24
ATOM     20  C   LIG    1        5.781  -0.336   0.131  0.00  0.00    +0.215 A 
ATOM     21  N   LIG    1        5.802   0.729  -0.696  0.00  0.00    -0.221 NA
ATOM     22  C   LIG    1        4.886   1.694  -0.462  0.00  0.00    +0.115 A 
ATOM     23  C   LIG    1        3.946   1.633   0.553  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.930   0.514   1.391  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1        4.876  -0.490   1.171  0.00  0.00    +0.072 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.612  -1.117  -1.094  0.00  0.00    +0.279 C 
ATOM     27  O   LIG    1        6.682  -1.368  -0.045  0.00  0.00    -0.480 OA
ENDBRANCH  20  27
ENDBRANCH  19  24
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   2  28
ATOM     28  S   LIG    1        0.292   1.067  -1.529  0.00  0.00    -0.005 S 
ATOM     29  O   LIG    1       -0.415   1.178  -2.794  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1        1.015   2.209  -1.013  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1        1.414  -0.291  -1.702  0.00  0.00    +0.200 C 
ENDBRANCH   2  28
TORSDOF 7