REMARK  Name = BDB004955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.637  -1.372   1.155  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.658  -0.760   1.639  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.798  -0.738   0.817  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.998  -0.156   1.253  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        3.049   0.405   2.529  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        1.921   0.394   3.354  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.732  -0.182   2.912  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        4.091  -0.193   0.360  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        3.912  -0.637  -0.528  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        5.340   0.393   0.525  0.00  0.00    +0.267 C 
ATOM     11  O   LIG    1        5.661   1.112   1.465  0.00  0.00    -0.268 OA
BRANCH  10  12
ATOM     12  C   LIG    1        6.287   0.107  -0.572  0.00  0.00    +0.135 A 
ATOM     13  N   LIG    1        7.333   0.987  -0.855  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        8.067   0.543  -1.841  0.00  0.00    +0.156 A 
ATOM     15  S   LIG    1        7.557  -0.944  -2.523  0.00  0.00    -0.060 S 
ATOM     16  C   LIG    1        6.276  -1.015  -1.386  0.00  0.00    +0.081 A 
BRANCH  14  17
ATOM     17  N   LIG    1        9.137   1.202  -2.311  0.00  0.00    -0.338 N 
ATOM     18  H   LIG    1        9.414   1.033  -3.270  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        9.197   2.175  -2.030  0.00  0.00    +0.144 HD
ENDBRANCH  14  17
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  20
ATOM     20  N   LIG    1       -1.600  -0.304   0.920  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -1.206   0.419   0.324  0.00  0.00    +0.148 HD
BRANCH  20  25
ATOM     22  C   LIG    1       -6.062   0.723  -0.667  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1       -5.056  -0.228  -0.390  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -3.842   0.247   0.144  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -2.843  -0.716   0.399  0.00  0.00    +0.130 A 
ATOM     26  N   LIG    1       -3.041  -2.026   0.187  0.00  0.00    -0.220 NA
ATOM     27  C   LIG    1       -4.225  -2.378  -0.308  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1       -3.672   1.629   0.410  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -4.676   2.547   0.134  0.00  0.00    +0.002 A 
ATOM     30  N   LIG    1       -5.230  -1.550  -0.617  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1       -5.867   2.094  -0.409  0.00  0.00    +0.015 A 
BRANCH  22  35
ATOM     32  N   LIG    1       -7.655  -0.949  -1.515  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -6.969  -1.669  -1.311  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -8.558  -1.203  -1.890  0.00  0.00    +0.145 HD
ATOM     35  C   LIG    1       -7.395   0.361  -1.246  0.00  0.00    +0.244 C 
ATOM     36  O   LIG    1       -8.246   1.214  -1.480  0.00  0.00    -0.270 OA
ENDBRANCH  22  35
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 7