REMARK  Name = BDB015906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.506   0.259   0.119  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.697   0.865   0.160  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.806   0.095   0.204  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.725  -1.297   0.247  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.444  -1.815   0.187  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.681  -1.073   0.124  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.158   1.363  -0.079  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.003   0.563  -0.028  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.709   1.116   0.065  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.612   2.519   0.102  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.748   3.330   0.050  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.014   2.754  -0.041  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.981  -1.787   0.309  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.161  -0.638   0.012  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.710   0.426  -0.601  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.688   1.279  -0.715  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.482   0.769  -0.176  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.835  -0.481   0.291  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.866  -2.200   0.356  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -2.852  -3.412  -0.227  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.042  -3.954   0.082  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -4.368  -5.272  -0.406  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -4.819  -3.153   0.859  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.086  -2.009   1.062  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.067   0.739   0.219  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -3.620   0.322  -0.530  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.023   2.195   0.083  0.00  0.00    +0.105 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.409   2.795   0.335  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.442   2.435  -0.724  0.00  0.00    +0.157 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -5.034   2.885  -2.007  0.00  0.00    -0.395 OA
ATOM     31  H   LIG    1       -5.052   3.857  -1.999  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 8