REMARK  Name = BDB017403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.519   2.107   0.701  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -1.013   2.186   0.418  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -0.532   2.327  -0.703  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.244   1.906   1.553  0.00  0.00    -0.276 N 
ATOM      5  C   LIG    1        0.068   3.135   2.251  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1        1.595   3.154   2.417  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1        2.071   2.222   1.298  0.00  0.00    +0.034 C 
ATOM      8  S   LIG    1       -0.845   3.204   3.806  0.00  0.00    -0.138 S 
ATOM      9  C   LIG    1       -2.446   2.468   3.285  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        0.997   1.152   1.368  0.00  0.00    +0.163 C 
ATOM     11  C   LIG    1       -2.981   2.926   1.922  0.00  0.00    +0.042 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.112   0.202   0.628  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -2.833   0.683   0.791  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -2.057   0.027   0.681  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -5.088   0.938   0.493  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -4.206  -1.341   0.583  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -4.046  -1.777  -0.873  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -5.743  -3.171   1.146  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.477  -1.746   1.213  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -6.236  -1.215   0.778  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        0.893   0.029   0.316  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1        2.037  -0.228  -0.398  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        2.829   0.397  -0.335  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -0.140  -0.636   0.191  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        2.072  -1.225  -1.459  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        3.145  -0.837  -2.459  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        4.385  -1.502  -2.510  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        5.352  -1.083  -3.437  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.105  -0.005  -4.287  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.885   0.661  -4.229  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.679  -2.700  -1.641  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1        3.737  -2.829  -0.447  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        2.911   0.250  -3.320  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1        2.289  -2.633  -0.883  0.00  0.00    +0.027 C 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5