REMARK  Name = BDB000283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.981  -1.475   0.228  0.00  0.00    +0.259 C 
ATOM      2  C   LIG    1       -3.082   0.006   0.637  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -4.155   0.605   0.714  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1       -1.849   0.646   0.788  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.653  -0.127   0.801  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -0.745  -1.524   0.841  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1        0.396  -2.321   0.919  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        1.659  -1.733   0.927  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        1.790  -0.339   0.874  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1        0.625   0.452   0.820  0.00  0.00    +0.036 A 
ATOM     11  O   LIG    1       -1.938  -2.192   0.875  0.00  0.00    -0.478 OA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        3.117   0.289   0.894  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        3.807   0.653  -0.262  0.00  0.00    +0.056 A 
ATOM     14  N   LIG    1        5.030   1.229  -0.225  0.00  0.00    -0.219 NA
ATOM     15  C   LIG    1        5.579   1.433   0.972  0.00  0.00    +0.214 A 
ATOM     16  N   LIG    1        4.996   1.148   2.133  0.00  0.00    -0.199 NA
ATOM     17  C   LIG    1        3.783   0.579   2.089  0.00  0.00    +0.129 A 
BRANCH  15  18
ATOM     18  N   LIG    1        6.822   2.028   1.010  0.00  0.00    -0.327 N 
ATOM     19  H   LIG    1        6.947   2.484   1.903  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        6.966   2.579   0.177  0.00  0.00    +0.145 HD
ENDBRANCH  15  18
BRANCH  17  21
ATOM     21  N   LIG    1        3.206   0.277   3.337  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        3.044  -0.724   3.401  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        2.304   0.735   3.419  0.00  0.00    +0.144 HD
ENDBRANCH  17  21
BRANCH  13  24
ATOM     24  C   LIG    1        3.267   0.408  -1.650  0.00  0.00    +0.053 C 
ATOM     25  C   LIG    1        3.734  -0.926  -2.211  0.00  0.00    +0.010 C 
ENDBRANCH  13  24
ENDBRANCH   9  12
BRANCH   1  26
ATOM     26  C   LIG    1       -4.309  -2.210   0.482  0.00  0.00    +0.054 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.502  -4.630   0.138  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -4.462  -3.530  -0.285  0.00  0.00    +0.001 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
BRANCH   4  29
ATOM     29  C   LIG    1       -1.831   2.094   1.001  0.00  0.00    +0.116 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.608   2.895  -0.282  0.00  0.00    +0.047 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.805   2.857  -1.230  0.00  0.00    +0.161 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -2.593   3.737  -2.335  0.00  0.00    -0.383 OA
ATOM     33  C   LIG    1       -1.855   3.140  -3.393  0.00  0.00    +0.193 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 10