REMARK  Name = BDB041527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.743   0.141   2.220  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.384  -0.012   1.385  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1       -0.245  -0.335   0.429  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.686   0.083   3.438  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.367   0.234   1.549  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        4.480   0.794   0.271  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        3.292   1.156  -0.385  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.056   0.963   0.225  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.034   0.406   1.495  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        3.166   0.049   2.153  0.00  0.00    -0.247 NA
BRANCH   5  12
ATOM     11  C   LIG    1        6.109   0.989   3.188  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1        5.553  -0.177   2.385  0.00  0.00    +0.052 C 
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.795   1.016  -0.433  0.00  0.00    +0.180 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.995   0.051  -1.507  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.615   0.355  -2.767  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.963  -0.724  -3.472  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.569  -1.712  -2.675  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.582  -1.180  -1.408  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.885  -0.425   1.991  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.374   0.684   2.782  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.841  -1.782   2.489  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.884  -0.483   0.519  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.438  -1.144  -0.621  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -3.233  -1.146  -1.764  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.483  -0.517  -1.746  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.979   0.146  -0.606  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1       -4.138   0.147   0.524  0.00  0.00    +0.036 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.336   0.828  -0.587  0.00  0.00    -0.003 C 
ATOM     29  C   LIG    1       -7.546   0.544   0.365  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -8.076   1.714  -0.535  0.00  0.00    -0.008 C 
ATOM     31  C   LIG    1       -7.415   0.927  -1.718  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -6.653   2.340  -0.330  0.00  0.00    +0.015 C 
ENDBRANCH  26  28
BRANCH  23  33
ATOM     33  O   LIG    1       -1.189  -1.706  -0.662  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -1.280  -3.135  -0.692  0.00  0.00    +0.277 C 
ENDBRANCH  23  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8