REMARK  Name = BDB053630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.035   0.470   0.610  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -0.535   0.487   1.487  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.935   0.213  -0.423  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.207   0.043  -0.019  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -3.057  -0.205  -1.030  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1       -2.735  -0.295  -2.369  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -3.952  -0.567  -3.017  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1       -4.980  -0.648  -2.167  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1       -1.403  -0.107  -2.693  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -4.410  -0.421  -0.956  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1       -0.513   0.146  -1.703  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1       -5.226  -0.426   0.262  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -6.238   0.732   0.259  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -7.610   0.440  -0.354  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -8.452  -0.656   0.313  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -7.992  -1.081   1.704  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.719  -1.933   1.731  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.800  -1.826   0.515  0.00  0.00    +0.027 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        4.053   1.220   0.784  0.00  0.00    +0.140 A 
ATOM     20  N   LIG    1        3.508   1.045  -0.432  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        2.171   0.796  -0.468  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1        1.335   0.730   0.646  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        1.956   0.936   1.884  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        3.325   1.189   1.960  0.00  0.00    +0.047 A 
BRANCH  19  25
ATOM     25  N   LIG    1        5.445   1.526   0.798  0.00  0.00    -0.189 N 
BRANCH  25  26
ATOM     26  S   LIG    1        5.778   3.184   0.934  0.00  0.00    +0.044 S 
ATOM     27  O   LIG    1        4.903   3.770   1.930  0.00  0.00    -0.155 OA
ATOM     28  O   LIG    1        7.214   3.342   1.057  0.00  0.00    -0.155 OA
ATOM     29  C   LIG    1        5.308   3.826  -0.664  0.00  0.00    +0.218 C 
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  C   LIG    1        6.300   0.761  -0.158  0.00  0.00    +0.148 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.343  -0.735   0.226  0.00  0.00    +0.104 C 
BRANCH  31  33
ATOM     32  C   LIG    1        6.740  -1.702  -1.973  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        7.258  -1.540  -0.613  0.00  0.00    -0.307 NA
ATOM     34  C   LIG    1        7.462  -2.857  -0.004  0.00  0.00    +0.104 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 8