REMARK  Name = BDB033575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.860  -0.010  -0.396  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.742  -0.301  -1.208  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.471   0.890  -1.860  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        0.569   1.072  -2.779  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        1.399  -0.035  -3.019  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1        1.137  -1.254  -2.404  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        1.845  -2.553  -2.495  0.00  0.00    +0.083 C 
ATOM      8  C   LIG    1        0.796  -3.456  -1.846  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.036  -2.658  -0.970  0.00  0.00    -0.490 OA
ATOM     10  O   LIG    1       -1.369   1.827  -1.456  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        0.082  -1.384  -1.505  0.00  0.00    +0.141 A 
ATOM     12  N   LIG    1       -2.236   1.266  -0.530  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.466  -0.938   0.438  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -2.003  -1.833   0.583  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -3.588  -0.555   1.616  0.00  0.00    +0.081 S 
ATOM     16  O   LIG    1       -4.744  -0.007   0.937  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.722  -1.742   2.440  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.437   1.861   2.965  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -2.793   0.671   2.616  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1       -1.490   0.436   3.082  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -0.819   1.410   3.831  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -1.465   2.596   4.170  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.777   2.812   3.754  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.883   3.068   1.631  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -4.751   2.089   2.664  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -0.823  -0.720   2.767  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -0.692  -1.562   3.916  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  O   LIG    1        2.416   0.131  -3.929  0.00  0.00    -0.438 OA
BRANCH  28  29
ATOM     29  C   LIG    1        3.691  -0.101  -3.454  0.00  0.00    +0.220 A 
ATOM     30  N   LIG    1        4.400  -1.026  -4.137  0.00  0.00    -0.221 NA
ATOM     31  C   LIG    1        5.666  -1.248  -3.722  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        6.257  -0.585  -2.658  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        5.510   0.373  -1.982  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1        4.203   0.629  -2.388  0.00  0.00    +0.067 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7