REMARK  Name = BDB053629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.564  -0.487   0.207  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -0.028  -1.341   0.267  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.305   0.581  -0.011  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.601   0.230  -0.100  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        2.421   1.274  -0.312  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        2.048   2.597  -0.437  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        3.251   3.295  -0.644  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        4.318   2.489  -0.654  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        0.695   2.865  -0.333  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        3.786   1.257  -0.448  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1       -0.166   1.841  -0.120  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        4.655   0.075  -0.391  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        5.607   0.163   0.822  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        7.052   0.534   0.485  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        7.872  -0.556  -0.220  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        7.097  -1.752  -0.767  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.120  -1.434  -1.894  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.322  -0.140  -1.759  0.00  0.00    +0.027 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -4.672  -0.825   0.751  0.00  0.00    +0.140 A 
ATOM     20  N   LIG    1       -4.176   0.408   0.556  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1       -2.828   0.500   0.392  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -1.943  -0.578   0.391  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -2.523  -1.840   0.573  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -3.900  -1.971   0.753  0.00  0.00    +0.047 A 
BRANCH  19  25
ATOM     25  N   LIG    1       -6.081  -0.894   0.876  0.00  0.00    -0.189 N 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.539  -0.039  -1.681  0.00  0.00    +0.218 C 
ATOM     27  S   LIG    1       -6.924  -1.329  -0.506  0.00  0.00    +0.044 S 
ATOM     28  O   LIG    1       -8.341  -1.250  -0.211  0.00  0.00    -0.155 OA
ATOM     29  O   LIG    1       -6.359  -2.559  -1.026  0.00  0.00    -0.155 OA
ENDBRANCH  25  27
BRANCH  25  30
ATOM     30  C   LIG    1       -6.718  -0.056   1.918  0.00  0.00    +0.147 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.160   1.337   1.451  0.00  0.00    +0.098 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -7.760   2.115   2.541  0.00  0.00    -0.328 NA
ATOM     33  H   LIG    1       -8.036   3.030   2.184  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -8.623   1.662   2.845  0.00  0.00    +0.118 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 8