REMARK  Name = BDB012089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.114  -0.587  -1.091  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.762  -0.265  -1.015  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -0.229   0.864  -0.183  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.056  -1.163  -1.815  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.720  -2.147  -2.397  0.00  0.00    +0.060 A 
ATOM      6  S   LIG    1       -2.379  -1.947  -2.102  0.00  0.00    -0.081 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.506  -1.152  -2.016  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.058   0.098  -2.140  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.464   0.915  -2.118  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.161  -2.185  -2.111  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.480   0.323  -2.235  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.001   0.709  -0.881  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.665   2.110  -0.461  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        2.970   2.848  -1.154  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        4.159   2.526   0.748  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        3.921   3.475   1.011  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        4.908   1.745   1.591  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.351   2.361   2.882  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        5.198   0.488   1.227  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.740  -0.055  -0.045  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        5.150  -1.480  -0.296  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -3.128   0.100  -0.464  0.00  0.00    -0.321 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.786  -0.501   0.730  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -2.786  -1.006   1.781  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.535  -1.739   2.890  0.00  0.00    +0.082 C 
ATOM     26  N   LIG    1       -4.316  -2.886   2.424  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1       -5.211  -2.914   2.911  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.520  -2.921   0.977  0.00  0.00    +0.082 C 
ATOM     29  C   LIG    1       -4.854  -1.554   0.389  0.00  0.00    +0.037 C 
ENDBRANCH  22  23
BRANCH  22  31
ATOM     30  C   LIG    1       -3.298   2.123  -1.880  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -4.018   0.901  -1.328  0.00  0.00    +0.102 C 
ENDBRANCH  22  31
ENDBRANCH   1  22
TORSDOF 6