REMARK  Name = BDB062175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.225   1.849   0.204  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1        4.151   0.964   0.210  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        4.292  -0.279  -0.531  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        2.999  -0.694  -1.234  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        1.715  -0.524  -0.366  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        2.113  -0.166   1.090  0.00  0.00    +0.040 C 
ATOM      7  C   LIG    1        3.036   1.054   1.146  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        6.283   1.617  -0.377  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        0.868  -1.814  -0.489  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1        0.515  -2.609   0.613  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -0.295  -3.737   0.453  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -0.765  -4.093  -0.808  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -0.424  -3.324  -1.914  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        0.385  -2.197  -1.758  0.00  0.00    +0.004 A 
ENDBRANCH   5   9
BRANCH   5  15
ATOM     15  C   LIG    1        0.873   0.689  -0.872  0.00  0.00    +0.243 C 
ATOM     16  N   LIG    1       -0.480   0.685  -0.473  0.00  0.00    -0.185 N 
ATOM     17  H   LIG    1       -0.864  -0.122   0.010  0.00  0.00    +0.177 HD
ATOM     18  O   LIG    1        1.352   1.613  -1.513  0.00  0.00    -0.273 OA
BRANCH  16  19
ATOM     19  S   LIG    1       -1.590   1.793  -1.029  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1       -1.384   3.037  -0.320  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.666   1.712  -2.469  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.091   1.067  -0.399  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -3.635  -0.042  -1.051  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -4.801  -0.622  -0.549  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -5.429  -0.099   0.586  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1       -4.881   1.018   1.223  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -3.711   1.606   0.731  0.00  0.00    +0.032 A 
BRANCH  25  28
ATOM     28  O   LIG    1       -6.560  -0.766   0.968  0.00  0.00    -0.495 OA
ATOM     29  C   LIG    1       -7.286  -0.229   2.066  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH   5  15
BRANCH   1  31
ATOM     30  C   LIG    1        6.109   3.868   1.290  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        5.046   3.126   0.951  0.00  0.00    +0.060 C 
ENDBRANCH   1  31
TORSDOF 6