REMARK  Name = BDB002904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.847  -0.075   0.089  0.00  0.00    -0.128 NA
ATOM      2  C   LIG    1       -0.649  -0.560   0.166  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -0.497  -2.037   0.074  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.743  -2.640   0.267  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.863  -4.038   0.192  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.253  -4.828  -0.083  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.494  -4.228  -0.280  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.943  -1.837   0.565  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1        2.979  -2.409   0.888  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1        1.835  -0.339   0.470  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1       -1.617  -2.840  -0.201  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        0.617   0.208   0.329  0.00  0.00    +0.057 C 
ENDROOT
BRANCH   1  13
ATOM     13  S   LIG    1       -2.158   1.509   0.174  0.00  0.00    +0.099 S 
ATOM     14  O   LIG    1       -1.790   1.995   1.491  0.00  0.00    -0.146 OA
ATOM     15  O   LIG    1       -1.623   2.155  -1.010  0.00  0.00    -0.146 OA
BRANCH  13  20
ATOM     16  C   LIG    1       -8.217   1.762  -0.158  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -6.719   1.723  -0.073  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -6.087   1.417   1.141  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.695   1.352   1.216  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -3.932   1.578   0.067  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -4.547   1.878  -1.150  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -5.940   1.941  -1.218  0.00  0.00    +0.005 A 
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH  10  23
ATOM     23  N   LIG    1        2.974   0.439   0.650  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1        2.777   1.409   0.885  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.205   0.342  -0.043  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        5.268   1.151   0.391  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.525   1.088  -0.226  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1        6.735   0.199  -1.283  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        5.696  -0.622  -1.713  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        4.444  -0.553  -1.092  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1        7.658   1.937   0.212  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1        8.782   1.926  -0.256  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.330   2.773   1.214  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        8.164   3.255   1.396  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  10  23
TORSDOF 6