REMARK  Name = BDB003017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.073  -0.851  -1.361  0.00  0.00    +0.123 C 
ATOM      2  C   LIG    1       -0.943  -1.958  -1.448  0.00  0.00    +0.212 C 
ATOM      3  O   LIG    1       -1.117  -2.739  -0.513  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.736  -2.091  -2.670  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.454  -1.287  -3.760  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.200  -1.438  -4.940  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.225  -2.383  -5.013  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.508  -3.187  -3.912  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.383  -0.278  -3.695  0.00  0.00    +0.213 C 
ATOM     10  O   LIG    1       -0.087   0.298  -4.740  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -2.763  -3.045  -2.740  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.283   0.033  -2.372  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   1  15
ATOM     13  N   LIG    1        1.300  -0.780   1.951  0.00  0.00    -0.338 N 
ATOM     14  C   LIG    1        0.309  -0.935   1.057  0.00  0.00    +0.181 A 
ATOM     15  N   LIG    1        0.808  -0.734  -0.174  0.00  0.00    -0.302 N 
ATOM     16  C   LIG    1        2.153  -0.398  -0.053  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        2.444  -0.382   1.281  0.00  0.00    +0.105 A 
BRANCH  13  18
ATOM     18  C   LIG    1        1.140  -0.915   3.394  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.497  -2.331   3.837  0.00  0.00    +0.022 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.681  -2.482   5.349  0.00  0.00    +0.001 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -0.581  -1.586   6.184  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        0.403  -2.744   6.156  0.00  0.00    -0.003 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  N   LIG    1        0.939   1.235  -2.449  0.00  0.00    -0.092 NA
BRANCH  23  24
ATOM     24  S   LIG    1        0.619   2.228  -1.226  0.00  0.00    +0.092 S 
ATOM     25  O   LIG    1        1.738   2.400  -0.297  0.00  0.00    -0.148 OA
ATOM     26  O   LIG    1       -0.681   2.032  -0.585  0.00  0.00    -0.148 OA
BRANCH  24  27
ATOM     27  C   LIG    1        0.430   3.877  -1.949  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1       -0.309   4.019  -3.128  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1       -0.419   5.276  -3.720  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        0.204   6.384  -3.140  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.936   6.236  -1.959  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        1.056   4.978  -1.361  0.00  0.00    +0.029 A 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  12  23
TORSDOF 8