REMARK  Name = BDB017408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.369  -0.468  -1.040  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        1.183   0.257  -0.363  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        0.540   1.063  -1.054  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.884   0.126   1.003  0.00  0.00    -0.276 N 
ATOM      5  C   LIG    1        1.394  -0.933   1.894  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1        1.068  -0.693   3.384  0.00  0.00    +0.034 C 
ATOM      7  C   LIG    1       -0.390  -0.346   3.621  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -0.739   0.880   2.797  0.00  0.00    +0.032 C 
ATOM      9  S   LIG    1        3.213  -1.039   1.882  0.00  0.00    -0.138 S 
ATOM     10  C   LIG    1        3.416  -2.226   0.530  0.00  0.00    +0.073 C 
ATOM     11  C   LIG    1       -0.473   0.640   1.311  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        2.542  -1.942  -0.682  0.00  0.00    +0.042 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.631   0.210  -1.803  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.579   0.338  -0.927  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.719   0.833  -0.053  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.620  -0.597  -2.732  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.870   1.084  -1.474  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.500   2.557  -1.322  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        8.218   0.885  -2.076  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.853   0.953  -2.572  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.633   0.091  -3.084  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH  11  22
ATOM     22  C   LIG    1       -1.549  -0.321   0.735  0.00  0.00    +0.234 C 
ATOM     23  N   LIG    1       -2.772   0.275   0.501  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -2.780   1.279   0.373  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1       -1.343  -1.521   0.560  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.852  -0.457  -0.145  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -5.219   0.128   0.169  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1       -6.305  -0.285  -0.629  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.597   0.179  -0.358  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.817   1.055   0.704  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.753   1.453   1.510  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.052  -1.282  -1.728  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1       -4.807  -0.906  -2.524  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -5.463   0.984   1.253  0.00  0.00    +0.006 A 
ATOM     35  C   LIG    1       -3.602  -0.501  -1.666  0.00  0.00    +0.027 C 
ENDBRANCH  23  26
ENDBRANCH  11  22
TORSDOF 5