REMARK  Name = BDB057018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.433   0.673   3.096  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        3.099   0.413   1.655  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        1.797  -0.001   1.417  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1        1.401  -0.256   0.192  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1        2.358  -0.092  -0.893  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        3.640   0.319  -0.629  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        4.287   0.376  -1.843  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.332  -0.011  -2.769  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        2.130  -0.302  -2.173  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        4.011   0.575   0.677  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.746   0.772  -2.185  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.748   1.165  -1.332  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1        7.843   1.404  -2.117  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        8.767   1.710  -1.829  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        7.621   1.193  -3.423  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        6.343   0.808  -3.464  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.119  -0.674  -0.125  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        0.012  -0.816  -1.128  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.966  -0.906   0.658  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1       -1.073  -0.740   2.364  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1       -2.657  -1.197   2.510  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1       -3.145  -1.463   1.297  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -2.208  -1.327   0.217  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -4.567  -1.912   1.176  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.285  -0.852   0.372  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -5.766   0.339   0.939  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -5.591   0.682   2.390  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1       -6.396   1.260   0.090  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -6.548   0.976  -1.261  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.057  -0.225  -1.732  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1       -5.433  -1.135  -0.954  0.00  0.00    -0.259 NA
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5