REMARK  Name = BDB053636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.414   0.249   0.239  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.062   1.024   0.676  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.534  -0.550  -0.400  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -1.800  -0.109  -0.269  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -2.702  -0.888  -0.889  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1       -2.438  -2.036  -1.607  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -3.695  -2.480  -2.055  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1       -4.692  -1.683  -1.659  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1       -1.111  -2.416  -1.690  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -4.063  -0.715  -0.946  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1       -0.170  -1.659  -1.078  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.826   0.372  -0.335  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -5.842  -0.154   0.697  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -6.962   0.830   1.028  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -8.030   1.015  -0.060  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -7.760   0.346  -1.405  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.586   0.923  -2.192  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.365   1.358  -1.385  0.00  0.00    +0.027 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        4.618   0.247   0.672  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.832   1.228   1.272  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        2.442   1.211   1.109  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.806   0.207   0.360  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        2.612  -0.785  -0.206  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.004  -0.775  -0.046  0.00  0.00    +0.026 A 
BRANCH  19  25
ATOM     25  N   LIG    1        6.036   0.282   0.919  0.00  0.00    -0.205 N 
BRANCH  25  26
ATOM     26  S   LIG    1        7.048   0.426  -0.448  0.00  0.00    +0.043 S 
ATOM     27  O   LIG    1        6.788  -0.669  -1.359  0.00  0.00    -0.155 OA
ATOM     28  O   LIG    1        8.397   0.688   0.012  0.00  0.00    -0.155 OA
ATOM     29  C   LIG    1        6.455   1.934  -1.191  0.00  0.00    +0.218 C 
ENDBRANCH  25  26
BRANCH  25  31
ATOM     30  C   LIG    1        7.389   0.243   2.995  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        6.488  -0.572   2.070  0.00  0.00    +0.091 C 
ATOM     32  C   LIG    1        7.146  -1.881   1.642  0.00  0.00    +0.029 C 
ENDBRANCH  25  31
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 6