REMARK  Name = BDB027542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.747   2.286   1.359  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.480   1.747   1.462  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.066   0.384   1.132  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.444   0.486   0.847  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.857   1.657   1.745  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.329   2.607   1.661  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.971   3.491   1.424  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.094  -0.318   0.728  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        5.837   0.743  -0.145  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.743   1.589   0.068  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.888   1.367   1.148  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.146   0.326   2.041  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.243  -0.515   1.826  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.123  -1.228  -0.418  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        7.175  -1.214   0.585  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        7.251  -1.922   1.302  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        8.197  -0.474  -1.379  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1       10.113  -2.506  -1.101  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        9.119  -2.322  -0.222  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -0.661   0.776  -0.568  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -0.199   1.602  -0.936  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.971   0.801  -1.008  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -2.898   0.032  -0.420  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -4.154   0.090  -0.880  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -4.520   0.922  -1.940  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -5.847   0.970  -2.409  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.821   0.171  -1.813  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.464  -0.675  -0.759  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -3.489   1.679  -2.470  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -5.139  -0.695  -0.298  0.00  0.00    +0.041 A 
ATOM     31  N   LIG    1       -2.221   1.636  -2.021  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  C   LIG    1       -7.461  -1.543  -0.077  0.00  0.00    +0.244 C 
ATOM     33  N   LIG    1       -8.518  -1.982  -0.848  0.00  0.00    -0.314 N 
ATOM     34  H   LIG    1       -8.447  -1.913  -1.854  0.00  0.00    +0.149 HD
ATOM     35  C   LIG    1       -9.468  -2.924  -0.311  0.00  0.00    +0.128 C 
ATOM     36  O   LIG    1       -7.301  -1.854   1.097  0.00  0.00    -0.270 OA
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6