REMARK  Name = BDB053637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.328  -0.284   0.285  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.162  -0.058   1.138  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.580  -0.254  -0.771  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -1.838   0.053  -0.403  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -2.704   0.079  -1.430  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1       -2.412  -0.174  -2.755  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -3.636  -0.028  -3.430  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1       -4.641   0.293  -2.609  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1       -1.095  -0.483  -3.044  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -4.047   0.357  -1.391  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1       -0.190  -0.519  -2.036  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.833   0.685  -0.197  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -5.739  -0.497   0.174  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -6.750  -0.200   1.279  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -8.059   0.374   0.745  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -7.979   1.812   0.243  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.943   2.059  -0.853  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.508   2.062  -0.326  0.00  0.00    +0.027 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        4.472  -0.976   0.739  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.666  -0.695   1.839  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        2.296  -0.472   1.660  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.704  -0.510   0.386  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        2.535  -0.783  -0.704  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.907  -1.009  -0.534  0.00  0.00    +0.026 A 
BRANCH  19  25
ATOM     25  N   LIG    1        5.892  -1.207   0.850  0.00  0.00    -0.208 N 
BRANCH  25  27
ATOM     26  C   LIG    1        5.529  -3.908   0.736  0.00  0.00    +0.218 C 
ATOM     27  S   LIG    1        6.341  -2.636   1.687  0.00  0.00    +0.043 S 
ATOM     28  O   LIG    1        7.769  -2.811   1.512  0.00  0.00    -0.155 OA
ATOM     29  O   LIG    1        5.770  -2.602   3.018  0.00  0.00    -0.155 OA
ENDBRANCH  25  27
BRANCH  25  30
ATOM     30  C   LIG    1        6.697  -0.009   1.247  0.00  0.00    +0.133 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.788   0.984   0.090  0.00  0.00    +0.048 C 
BRANCH  31  32
ATOM     32  C   LIG    1        7.706   2.147   0.437  0.00  0.00    +0.157 C 
BRANCH  32  33
ATOM     33  O   LIG    1        7.736   3.052  -0.658  0.00  0.00    -0.395 OA
ATOM     34  H   LIG    1        8.345   3.773  -0.419  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 9