REMARK  Name = BDB036446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.611   0.102   1.517  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -3.955   0.625   0.240  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -3.179   0.291  -0.879  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -2.091  -0.550  -0.666  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -1.731  -1.075   0.559  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.577  -1.851   0.271  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -0.270  -1.800  -1.028  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -1.217  -0.981  -1.613  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -2.502  -0.745   1.689  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.232  -0.079   3.823  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -4.436   0.510   2.544  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1       -5.112   1.437   0.149  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -5.354   1.816   1.063  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -5.893   1.863  -0.862  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1       -6.741   2.886  -0.718  0.00  0.00    -0.159 NA
ATOM     16  N   LIG    1       -7.346   2.994  -1.909  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1       -8.033   3.729  -2.033  0.00  0.00    +0.188 HD
ATOM     18  C   LIG    1       -6.949   2.052  -2.807  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -6.011   1.290  -2.150  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1        0.142  -2.563   1.222  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -0.048  -2.413   2.207  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        1.664  -3.198   0.951  0.00  0.00    +0.077 S 
ATOM     23  O   LIG    1        2.174  -3.600   2.248  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        1.587  -4.164  -0.125  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        2.625  -1.810   0.415  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        2.775  -0.698   1.242  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        3.511   0.400   0.790  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        4.129   0.380  -0.472  0.00  0.00    -0.041 A 
ATOM     29  C   LIG    1        4.947   1.574  -0.905  0.00  0.00    +0.035 C 
ATOM     30  C   LIG    1        5.233   1.597  -2.405  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        5.717   0.232  -2.877  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        4.633  -0.822  -2.659  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1        4.013  -0.763  -1.284  0.00  0.00    -0.042 A 
ATOM     34  C   LIG    1        3.245  -1.850  -0.838  0.00  0.00    +0.036 A 
BRANCH  26  35
ATOM     35  O   LIG    1        2.135  -0.639   2.452  0.00  0.00    -0.493 OA
ATOM     36  C   LIG    1        3.074  -0.607   3.530  0.00  0.00    +0.277 C 
ENDBRANCH  26  35
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7