REMARK  Name = BDB020962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.376  -0.270  -0.658  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -1.391  -1.180  -0.053  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        0.038  -0.669  -0.314  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.315  -0.397  -1.731  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        1.564  -0.083  -2.240  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.751   0.126  -3.438  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.836  -0.474  -2.635  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.103   0.171  -2.041  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.338  -0.964   0.436  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -5.294  -1.787   0.814  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -4.000  -1.573   0.465  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1       -3.705  -0.503  -0.308  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.715   0.378  -0.711  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -6.041   0.146  -0.342  0.00  0.00    +0.016 A 
BRANCH   9  15
ATOM     15  C   LIG    1       -7.728  -1.258   0.852  0.00  0.00    +0.119 C 
ATOM     16  N   LIG    1       -8.219  -2.456   0.783  0.00  0.00    -0.285 NA
ATOM     17  H   LIG    1       -7.548  -3.118   0.382  0.00  0.00    +0.188 HD
BRANCH  15  19
ATOM     18  C   LIG    1       -8.154   0.716   2.273  0.00  0.00    +0.127 C 
ATOM     19  N   LIG    1       -8.571  -0.280   1.307  0.00  0.00    -0.332 N 
ATOM     20  H   LIG    1       -9.456  -0.714   1.566  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1        2.699   0.012  -1.235  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.022   0.369  -1.906  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.059   0.655  -0.852  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        5.197   1.968  -0.488  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        4.661   2.695  -0.940  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        6.082   2.392   0.470  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        6.195   3.574   0.773  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        6.884   1.335   1.108  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        6.669   0.021   0.681  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        7.416  -1.001   1.270  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        8.357  -0.713   2.264  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.560   0.605   2.678  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.822   1.636   2.100  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        5.731  -0.308  -0.313  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 6