REMARK  Name = BDB058592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.171  -0.195   1.932  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.059  -0.302   0.737  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        4.409  -0.030   0.651  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1        4.822  -0.279  -0.646  0.00  0.00    -0.220 N 
ATOM      5  N   LIG    1        3.761  -0.717  -1.393  0.00  0.00    -0.173 NA
ATOM      6  C   LIG    1        2.722  -0.719  -0.562  0.00  0.00    +0.138 A 
BRANCH   4   7
ATOM      7  C   LIG    1        6.122  -0.152  -1.260  0.00  0.00    +0.180 A 
ATOM      8  C   LIG    1        7.249   0.301  -0.559  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        8.442   0.368  -1.300  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        9.664   0.837  -0.619  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        9.520   1.172   0.698  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       10.352   1.493   1.173  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        8.331   1.082   1.349  0.00  0.00    +0.200 A 
ATOM     14  O   LIG    1       10.741   0.922  -1.195  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        8.515   0.011  -2.645  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        7.358  -0.419  -3.243  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        7.237   0.679   0.802  0.00  0.00    -0.233 NA
ATOM     18  N   LIG    1        6.186  -0.505  -2.588  0.00  0.00    -0.234 NA
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        1.055   0.858   1.787  0.00  0.00    +0.089 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -3.005   0.663   0.610  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -2.007   1.285  -0.381  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -0.716   1.663   0.338  0.00  0.00    +0.085 C 
ATOM     23  N   LIG    1       -0.010   0.478   0.843  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1       -0.896  -0.581   1.344  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -2.293  -0.103   1.741  0.00  0.00    +0.023 C 
BRANCH  20  28
ATOM     26  C   LIG    1       -6.443  -0.581  -0.552  0.00  0.00    -0.045 A 
ATOM     27  C   LIG    1       -5.426   0.169   0.062  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.070  -0.172  -0.084  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -3.744  -1.291  -0.860  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.742  -2.044  -1.477  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.082  -1.693  -1.324  0.00  0.00    +0.004 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -8.701  -1.270   0.335  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -7.895  -0.176  -0.369  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -8.544   0.208  -1.701  0.00  0.00    +0.012 C 
ENDBRANCH  26  33
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6