REMARK  Name = BDB057020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.498  -2.887  -2.167  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -2.164  -1.545  -1.581  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -0.823  -1.344  -1.293  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.424  -0.205  -0.778  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -1.419   0.828  -0.524  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -2.739   0.604  -0.826  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.415   1.754  -0.482  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.439   2.597   0.024  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -1.195   2.018  -0.009  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -3.113  -0.612  -1.363  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.919   2.109  -0.604  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -5.939   1.347  -1.119  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.072   2.106  -1.012  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.017   1.868  -1.296  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -6.858   3.310  -0.459  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -5.545   3.312  -0.213  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.897   0.073  -0.468  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        1.001   1.021  -0.108  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.015  -0.693  -0.548  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        2.114  -2.344  -1.014  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        3.753  -2.501  -0.842  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1        4.257  -1.337  -0.430  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        3.302  -0.281  -0.253  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.735  -1.224  -0.207  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.068  -0.920   1.224  0.00  0.00    +0.084 A 
ATOM     26  S   LIG    1        6.331  -2.197   2.350  0.00  0.00    -0.080 S 
ATOM     27  C   LIG    1        6.606  -1.041   3.583  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        6.488   0.229   3.063  0.00  0.00    +0.119 A 
ATOM     29  N   LIG    1        6.183   0.299   1.718  0.00  0.00    -0.252 NA
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5