REMARK  Name = BDB053481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.248   0.173  -0.514  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1        0.917   1.588  -0.466  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -0.365   2.004  -0.711  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.356   3.377  -0.598  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        0.956   3.695  -0.288  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -1.337   1.067  -0.994  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -1.002  -0.240  -1.012  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1        1.747   2.575  -0.205  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.290  -0.682  -0.777  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.514   4.393  -0.766  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -1.384   5.756  -0.626  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -2.623   6.282  -0.851  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -2.907   7.257  -0.833  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -3.553   5.354  -1.126  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -2.874   4.203  -1.076  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1        2.562  -0.195  -0.272  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1        3.143   0.617  -0.070  0.00  0.00    +0.154 HD
BRANCH  16  22
ATOM     18  C   LIG    1        6.160  -3.653   0.123  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        4.823  -3.045  -0.110  0.00  0.00    +0.049 A 
ATOM     20  N   LIG    1        3.813  -3.845  -0.446  0.00  0.00    -0.214 NA
ATOM     21  S   LIG    1        2.450  -2.929  -0.653  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        3.168  -1.411  -0.286  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        4.503  -1.653  -0.008  0.00  0.00    +0.055 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
BRANCH   7  24
ATOM     24  S   LIG    1       -2.278  -1.369  -1.409  0.00  0.00    -0.098 S 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.587  -2.231   0.192  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -2.919  -1.228   1.306  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1       -3.809  -3.136  -0.043  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1       -1.396  -3.108   0.597  0.00  0.00    +0.022 C 
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 5