REMARK  Name = BDB028387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.713   0.654  -4.770  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -0.334   0.163  -3.902  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.283   0.011  -2.532  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.550  -0.430  -2.172  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.259  -0.525  -3.390  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.522  -0.173  -4.442  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.004  -0.706  -0.822  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -3.193  -0.123  -0.356  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.643  -0.381   0.946  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.908  -1.226   1.774  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.388  -1.492   3.139  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.556  -0.867   3.500  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.903  -1.039   4.439  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -5.297  -0.036   2.719  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -2.774  -2.231   3.900  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.726  -1.817   1.316  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.885   0.208   1.507  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.278  -1.558   0.020  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.713   1.143   0.619  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -6.903   1.627   1.328  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -6.588   2.061   2.199  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -7.421   0.808   1.656  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        0.892   0.328  -1.724  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.051  -0.451  -1.819  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        3.174  -0.154  -1.037  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.140   0.921  -0.152  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        1.988   1.703  -0.058  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        0.866   1.407  -0.836  0.00  0.00    +0.013 A 
BRANCH  26  29
ATOM     29  O   LIG    1        4.177   1.309   0.658  0.00  0.00    -0.489 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.290   0.412   0.850  0.00  0.00    +0.173 C 
ATOM     31  C   LIG    1        5.039  -0.852   1.717  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        6.434  -0.633   2.329  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        6.291   0.852   1.952  0.00  0.00    +0.044 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   3  23
TORSDOF 6