REMARK  Name = BDB060201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.346   0.741   0.279  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -0.712  -0.058  -0.706  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.701  -0.004  -0.834  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.321  -0.808  -1.819  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.582  -1.641  -2.660  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.798  -1.693  -2.535  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.440   0.848   0.028  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1        0.786   1.654   0.966  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -1.435  -0.913  -1.570  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.598   1.600   1.092  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.794   0.744   0.364  0.00  0.00    -0.205 N 
ATOM     12  C   LIG    1       -3.433   1.937  -0.239  0.00  0.00    +0.157 C 
BRANCH  11  13
ATOM     13  S   LIG    1       -3.410   0.274   1.894  0.00  0.00    +0.074 S 
ATOM     14  O   LIG    1       -3.486   1.458   2.728  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1       -2.728  -0.920   2.345  0.00  0.00    -0.150 OA
BRANCH  13  19
ATOM     16  C   LIG    1       -7.670  -1.008   0.842  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -6.571  -1.753   0.399  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.270  -1.365   0.723  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -5.072  -0.214   1.489  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -6.160   0.534   1.946  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -7.460   0.135   1.617  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1      -10.039  -0.820   0.924  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -8.884  -1.501   0.450  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   7  24
ATOM     24  N   LIG    1        2.874   0.965  -0.153  0.00  0.00    -0.205 N 
ATOM     25  C   LIG    1        3.294   2.189  -0.875  0.00  0.00    +0.157 C 
BRANCH  24  26
ATOM     26  S   LIG    1        3.795   0.583   1.243  0.00  0.00    +0.074 S 
ATOM     27  O   LIG    1        3.299  -0.645   1.826  0.00  0.00    -0.150 OA
ATOM     28  O   LIG    1        3.932   1.791   2.034  0.00  0.00    -0.150 OA
BRANCH  26  29
ATOM     29  C   LIG    1        5.385   0.205   0.540  0.00  0.00    +0.109 A 
ATOM     30  C   LIG    1        5.539  -0.982  -0.182  0.00  0.00    +0.032 A 
ATOM     31  C   LIG    1        6.783  -1.299  -0.737  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        7.868  -0.436  -0.565  0.00  0.00    +0.120 A 
ATOM     33  C   LIG    1        7.701   0.744   0.170  0.00  0.00    +0.047 A 
ATOM     34  C   LIG    1        6.464   1.068   0.731  0.00  0.00    +0.032 A 
BRANCH  32  35
ATOM     35  O   LIG    1        9.130  -0.625  -1.056  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1        9.374  -1.839  -1.756  0.00  0.00    +0.277 C 
ENDBRANCH  32  35
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   7  24
TORSDOF 8