REMARK  Name = BDB051268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.259   0.787   0.772  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.109   0.643   0.513  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.712   1.352  -0.536  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -0.082   2.214  -1.310  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.444   2.372  -1.036  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.033   1.666   0.011  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.143   1.188  -0.813  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1        2.826   0.123  -0.353  0.00  0.00    -0.164 NA
ATOM      9  N   LIG    1        4.085   0.308  -0.788  0.00  0.00    -0.215 N 
ATOM     10  C   LIG    1        4.232   1.458  -1.521  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        5.446   1.822  -2.057  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        5.555   2.672  -2.595  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        6.565   1.032  -1.871  0.00  0.00    +0.259 A 
ATOM     14  C   LIG    1        6.400  -0.220  -1.071  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        7.496  -1.058  -0.848  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.336  -2.227  -0.098  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.085  -2.562   0.431  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.984  -1.733   0.215  0.00  0.00    +0.028 A 
ATOM     19  O   LIG    1        7.651   1.345  -2.346  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        5.151  -0.567  -0.536  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1        2.999   2.054  -1.557  0.00  0.00    +0.076 A 
ENDBRANCH   3   7
BRANCH   1  23
ATOM     22  N   LIG    1       -2.949  -0.794   1.694  0.00  0.00    -0.299 N 
ATOM     23  C   LIG    1       -1.847   0.043   1.908  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1       -1.324   0.203   3.010  0.00  0.00    -0.270 OA
ATOM     25  C   LIG    1       -3.443  -1.522   2.854  0.00  0.00    +0.132 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.300  -1.339   0.374  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.803  -1.329   0.006  0.00  0.00    +0.102 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.747   0.672   1.029  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1       -5.384   0.010  -0.229  0.00  0.00    -0.307 NA
ATOM     30  C   LIG    1       -6.582  -0.105  -1.068  0.00  0.00    +0.104 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5