REMARK  Name = BDB027552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.312  -0.329   2.376  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.702  -1.654   2.296  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.472  -2.576   1.191  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.701  -3.498   1.174  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -2.178  -3.500   2.626  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.704  -2.173   3.212  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.741   0.451   3.224  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.381   1.229  -0.573  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.726   0.084   0.150  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.861  -0.431   1.124  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.637   0.194   1.368  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        0.300   1.359   0.677  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        1.165   1.867  -0.296  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.410   1.339  -2.046  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        3.191   1.803  -1.575  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        2.830   2.644  -2.007  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        4.995   0.327  -1.679  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.310   1.780  -3.656  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        4.970   2.256  -3.123  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.737  -3.140   0.185  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -2.359  -3.258  -0.754  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.127  -1.807   0.174  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -2.699  -1.093  -0.875  0.00  0.00    -0.213 NA
ATOM     24  C   LIG    1       -2.985   0.223  -0.888  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1       -3.724   0.841   0.116  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -3.989   2.221   0.081  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -3.486   2.953  -0.979  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1       -2.760   2.406  -1.973  0.00  0.00    -0.261 NA
ATOM     29  C   LIG    1       -4.153  -0.003   1.124  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -2.542   1.064  -1.898  0.00  0.00    +0.139 A 
ATOM     31  N   LIG    1       -3.872  -1.319   1.167  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5