REMARK  Name = BDB058028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.252  -0.051   1.290  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.880   0.753   1.157  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.901   0.376   0.279  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.816  -0.821  -0.449  0.00  0.00    -0.021 A 
ATOM      5  C   LIG    1       -0.674  -1.624  -0.293  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.353  -1.250   0.578  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        6.642   0.307   0.756  0.00  0.00    +0.136 A 
ATOM      8  N   LIG    1        5.280   0.383   0.879  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1        4.238   0.186  -0.101  0.00  0.00    +0.144 C 
ATOM     10  C   LIG    1        2.932   0.829   0.356  0.00  0.00    +0.130 C 
ATOM     11  N   LIG    1        2.625   0.467   1.745  0.00  0.00    -0.288 N 
ATOM     12  C   LIG    1        3.641   0.830   2.740  0.00  0.00    +0.184 C 
ATOM     13  C   LIG    1        1.320   0.353   2.228  0.00  0.00    +0.247 C 
ATOM     14  O   LIG    1        1.014   0.548   3.400  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        5.016   0.656   2.198  0.00  0.00    +0.151 A 
ATOM     16  N   LIG    1        6.157   0.762   2.843  0.00  0.00    -0.133 NA
ATOM     17  N   LIG    1        7.170   0.544   1.943  0.00  0.00    -0.134 NA
BRANCH   7  19
ATOM     18  C   LIG    1        7.026  -1.275  -1.177  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        7.441   0.017  -0.479  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        7.456   1.203  -1.440  0.00  0.00    +0.015 C 
ENDBRANCH   7  19
ENDBRANCH   1  13
BRANCH   4  21
ATOM     21  C   LIG    1       -2.847  -1.260  -1.403  0.00  0.00    +0.058 C 
ATOM     22  C   LIG    1       -4.160  -0.997  -1.346  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -5.130  -1.509  -2.348  0.00  0.00    +0.231 C 
ATOM     24  O   LIG    1       -4.933  -2.198  -3.325  0.00  0.00    -0.283 OA
ATOM     25  C   LIG    1       -6.403  -0.982  -1.871  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -6.143  -0.244  -0.718  0.00  0.00    +0.152 A 
ATOM     27  C   LIG    1       -7.171   0.386  -0.041  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1       -8.474   0.254  -0.557  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -8.719  -0.502  -1.723  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -7.672  -1.133  -2.397  0.00  0.00    +0.015 A 
ATOM     31  O   LIG    1       -4.811  -0.253  -0.374  0.00  0.00    -0.451 OA
BRANCH  27  32
ATOM     32  C   LIG    1       -6.888   1.205   1.159  0.00  0.00    +0.245 C 
ATOM     33  O   LIG    1       -5.832   1.805   1.300  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -7.862   1.254   2.118  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -8.615   0.582   2.159  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -7.606   1.715   2.982  0.00  0.00    +0.145 HD
ENDBRANCH  27  32
ENDBRANCH   4  21
TORSDOF 4