REMARK  Name = BDB000909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.478   0.491   0.785  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.447  -0.370   0.797  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        0.805   0.112   0.946  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        1.020   1.468   1.111  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.086   2.276   1.087  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.333   1.814   0.919  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.727  -0.102   0.611  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -2.600  -1.102   0.548  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1       -8.171   1.756   0.457  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -6.761   1.238   0.471  0.00  0.00    -0.024 A 
ATOM     11  C   LIG    1       -6.424  -0.114   0.296  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1       -5.081  -0.530   0.353  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -4.039   0.379   0.584  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.383   1.720   0.752  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.717   2.144   0.705  0.00  0.00    +0.007 A 
BRANCH  11  16
ATOM     16  S   LIG    1       -7.655  -1.367   0.027  0.00  0.00    +0.056 S 
ATOM     17  O   LIG    1       -7.019  -2.665  -0.012  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1       -8.807  -1.110   0.857  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -8.131  -1.071  -1.556  0.00  0.00    -0.204 NA
ATOM     20  H   LIG    1       -9.122  -0.831  -1.580  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -7.888  -1.870  -2.142  0.00  0.00    +0.144 HD
ENDBRANCH  16  19
ENDBRANCH  11  16
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1        1.918  -0.772   0.982  0.00  0.00    -0.288 N 
ATOM     23  C   LIG    1        1.541  -2.187   0.867  0.00  0.00    +0.137 C 
BRANCH  22  24
ATOM     24  C   LIG    1        3.183  -0.521   0.360  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        4.355  -0.940   1.041  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        5.555  -0.657   0.368  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1        5.549   0.004  -0.912  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        6.858   0.135  -1.309  0.00  0.00    +0.044 A 
ATOM     29  N   LIG    1        7.575  -0.425  -0.278  0.00  0.00    -0.270 N 
ATOM     30  C   LIG    1        9.014  -0.544  -0.189  0.00  0.00    +0.172 C 
ATOM     31  C   LIG    1        7.494   0.717  -2.516  0.00  0.00    +0.066 C 
ATOM     32  C   LIG    1        4.432   0.429  -1.621  0.00  0.00    +0.013 A 
ATOM     33  N   LIG    1        6.822  -0.911   0.729  0.00  0.00    -0.171 NA
ATOM     34  C   LIG    1        3.240   0.134  -0.923  0.00  0.00    +0.024 A 
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 6