REMARK  Name = BDB057026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.881  -1.834   2.441  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -2.594  -0.985   1.237  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.304  -0.481   1.164  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.948   0.273   0.151  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -1.936   0.561  -0.879  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -3.205   0.050  -0.782  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.888   0.495  -1.893  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.964   1.257  -2.591  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -1.748   1.295  -1.955  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -3.534  -0.740   0.303  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.353   0.249  -2.336  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.324  -0.488  -1.704  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.440  -0.398  -2.491  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.352  -0.817  -2.338  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -7.260   0.349  -3.591  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -5.988   0.743  -3.496  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.320   0.812   0.006  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        0.388   1.365  -0.847  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.426   0.719   0.789  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        1.581  -0.137   2.271  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        3.161   0.257   2.559  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1        3.617   1.005   1.555  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        2.653   1.308   0.535  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.030   1.501   1.587  0.00  0.00    +0.113 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.936   0.354   1.220  0.00  0.00    +0.065 A 
ATOM     26  N   LIG    1        6.940   0.051   2.089  0.00  0.00    -0.256 NA
ATOM     27  C   LIG    1        7.766  -0.956   1.722  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1        7.631  -1.624   0.520  0.00  0.00    +0.130 A 
ATOM     29  N   LIG    1        6.665  -1.317  -0.373  0.00  0.00    -0.260 NA
ATOM     30  C   LIG    1        5.826  -0.322   0.005  0.00  0.00    +0.134 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5