REMARK  Name = BDB037915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.175   1.237   0.147  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -0.129   2.646  -0.164  0.00  0.00    +0.002 A 
ATOM      3  C   LIG    1       -0.920   2.946  -1.278  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.031   4.260  -1.774  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.337   5.288  -1.133  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.450   5.021  -0.023  0.00  0.00    +0.001 A 
ATOM      7  S   LIG    1       -1.683   1.539  -1.909  0.00  0.00    -0.083 S 
ATOM      8  C   LIG    1        0.558   3.716   0.466  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.999   0.540  -0.715  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  19
ATOM     10  O   LIG    1        4.609  -3.576  -0.909  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        4.456  -2.479  -0.399  0.00  0.00    +0.220 C 
ATOM     12  N   LIG    1        5.467  -1.653  -0.004  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.439  -1.896  -0.114  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        5.059  -0.485   0.560  0.00  0.00    +0.229 C 
ATOM     15  O   LIG    1        5.830   0.373   0.964  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        3.502  -0.493   0.574  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        2.815  -0.224   1.930  0.00  0.00    +0.126 C 
ATOM     18  N   LIG    1        1.892   0.637   1.198  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1        0.518   0.558   1.233  0.00  0.00    +0.249 C 
ATOM     20  O   LIG    1       -0.096  -0.052   2.103  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        2.779   0.764   0.046  0.00  0.00    +0.126 C 
ATOM     22  C   LIG    1        3.129  -1.815  -0.107  0.00  0.00    +0.115 C 
ENDBRANCH   1  19
BRANCH   9  23
ATOM     23  C   LIG    1       -1.189  -0.897  -0.755  0.00  0.00    +0.254 C 
ATOM     24  N   LIG    1       -2.467  -1.398  -0.528  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -3.579  -0.620   0.035  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1       -4.480  -1.482   0.938  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -5.049  -2.667   0.274  0.00  0.00    -0.313 NA
ATOM     28  H   LIG    1       -5.223  -3.383   0.980  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -4.164  -3.203  -0.774  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1       -2.677  -2.841  -0.624  0.00  0.00    +0.123 C 
ATOM     31  O   LIG    1       -0.234  -1.646  -0.966  0.00  0.00    -0.269 OA
ENDBRANCH   9  23
TORSDOF 2