REMARK  Name = BDB028411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.290  -0.288  -0.916  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -1.948  -0.796   0.208  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.662   0.059   1.057  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.754   1.427   0.759  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -3.566   2.276   1.668  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -4.185   1.638   2.715  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.740   2.215   3.341  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.077   0.329   3.039  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.702   3.483   1.509  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.102   1.949  -0.381  0.00  0.00    -0.037 A 
ATOM     11  C   LIG    1       -2.151   3.405  -0.762  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.345  -0.434   2.283  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -1.370   1.076  -1.205  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  19
ATOM     14  C   LIG    1        0.854  -1.084  -1.973  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1        1.156  -2.157  -2.786  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1        2.459  -2.555  -3.271  0.00  0.00    +0.173 C 
ATOM     17  N   LIG    1        0.084  -2.897  -3.129  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1       -0.925  -2.314  -2.483  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -0.515  -1.177  -1.757  0.00  0.00    +0.027 A 
BRANCH  14  22
ATOM     20  C   LIG    1        3.172   0.896   0.314  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.221  -0.061  -0.112  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1        1.847  -0.126  -1.473  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        2.425   0.766  -2.390  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        3.368   1.702  -1.973  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.740   1.764  -0.633  0.00  0.00    +0.005 A 
BRANCH  20  27
ATOM     26  C   LIG    1        4.776   0.062   2.066  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        3.625   1.008   1.756  0.00  0.00    +0.033 C 
ENDBRANCH  20  27
BRANCH  21  28
ATOM     28  C   LIG    1        1.639  -0.969   0.841  0.00  0.00    +0.100 C 
ATOM     29  N   LIG    1        1.169  -1.687   1.624  0.00  0.00    -0.191 NA
ENDBRANCH  21  28
ENDBRANCH  14  22
ENDBRANCH   1  19
BRANCH  12  30
ATOM     30  C   LIG    1       -3.231  -1.902   2.698  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.368  -2.648   2.150  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1       -4.421  -2.520   1.141  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -5.224  -2.236   2.529  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH  12  30
TORSDOF 6