REMARK  Name = BDB028281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.889   1.138   0.661  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1        0.360   0.918   0.108  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1        0.974  -0.231  -0.620  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1        2.428  -0.087  -0.614  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1        2.912   1.239  -1.021  0.00  0.00    +0.132 C 
ATOM      6  C   LIG    1        2.453   2.293  -0.020  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        3.168  -0.997   0.140  0.00  0.00    +0.247 C 
ATOM      8  O   LIG    1        2.673  -1.925   0.773  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1        1.056   2.082   0.314  0.00  0.00    -0.265 N 
ATOM     10  N   LIG    1        0.343   3.051   0.911  0.00  0.00    -0.179 NA
ATOM     11  C   LIG    1       -0.838   2.471   1.133  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -5.628  -0.056  -0.440  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1       -4.290  -0.358   0.136  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.115  -1.615   0.711  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -2.885  -1.978   1.272  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -1.822  -1.075   1.256  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -1.982   0.190   0.677  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1       -5.243  -2.561   0.732  0.00  0.00    +0.272 A 
ATOM     19  O   LIG    1       -5.131  -3.677   1.226  0.00  0.00    -0.266 OA
ATOM     20  N   LIG    1       -6.415  -2.115   0.175  0.00  0.00    -0.242 N 
ATOM     21  H   LIG    1       -7.202  -2.756   0.168  0.00  0.00    +0.192 HD
ATOM     22  C   LIG    1       -3.221   0.549   0.125  0.00  0.00    +0.019 A 
ATOM     23  N   LIG    1       -6.616  -0.902  -0.405  0.00  0.00    -0.174 NA
BRANCH  12  24
ATOM     24  C   LIG    1       -5.884   1.296  -1.105  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.350   1.294  -2.467  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -4.334   1.258  -2.464  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -5.612   2.161  -2.934  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  12  24
ENDBRANCH   1  17
BRANCH   7  28
ATOM     28  C   LIG    1        4.636  -0.846   0.191  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        5.252  -0.631   1.427  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        6.639  -0.501   1.490  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.404  -0.601   0.326  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.787  -0.840  -0.904  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.400  -0.971  -0.975  0.00  0.00    +0.013 A 
ENDBRANCH   7  28
TORSDOF 4