REMARK  Name = BDB013017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.962   0.438   0.505  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.089   1.279  -0.240  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.254   1.002  -0.176  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.865   1.979  -0.904  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.961   2.766  -1.441  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.781  -0.070   0.548  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.984  -0.839   1.239  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.276   2.325  -1.020  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.371  -0.568   1.190  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.228   0.870   0.597  0.00  0.00    +0.105 A 
ATOM     11  C   LIG    1        4.533   0.677   1.792  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        3.143   0.536   1.763  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.438   0.580   0.547  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.158   0.795  -0.641  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.547   0.939  -0.620  0.00  0.00    +0.029 A 
BRANCH  10  16
ATOM     16  S   LIG    1        6.994   1.053   0.608  0.00  0.00    +0.060 S 
ATOM     17  O   LIG    1        7.467   0.874   1.965  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        7.305   2.249  -0.145  0.00  0.00    -0.153 OA
BRANCH  16  20
ATOM     19  C   LIG    1        8.932  -0.192  -0.730  0.00  0.00    +0.131 C 
ATOM     20  N   LIG    1        7.520  -0.305  -0.295  0.00  0.00    -0.183 NA
ATOM     21  C   LIG    1        7.253  -1.617   0.336  0.00  0.00    +0.131 C 
ENDBRANCH  16  20
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -3.137  -0.316   0.559  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.322  -0.973   1.319  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.770  -0.848  -0.644  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.198  -1.213  -0.338  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -6.185  -0.248  -0.162  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.091   1.232  -0.177  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.581   1.576  -0.206  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.333   0.461   0.321  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.488  -0.606   0.159  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.870  -1.921   0.321  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -6.900  -2.907   0.144  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -5.578  -2.558  -0.181  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6