REMARK  Name = BDB024556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.942   0.494   0.666  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.893  -0.429   0.546  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.269  -1.844   0.682  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.090  -2.331   2.123  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.540  -2.703  -0.346  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.039  -2.583  -0.182  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.596  -1.155  -0.018  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.229  -0.834  -0.191  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.189  -1.675  -0.498  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.901  -0.932  -0.499  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.572   0.398  -0.313  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.773   0.465  -0.009  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.625   1.484   0.415  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.977   1.159   0.598  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.496  -0.123   0.359  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        7.057   0.199   1.091  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.522   1.534  -0.234  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -0.976   2.896  -0.786  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -2.326   3.085  -1.413  0.00  0.00    -0.001 C 
ATOM     20  C   LIG    1       -2.498   3.861  -2.685  0.00  0.00    +0.089 C 
ATOM     21  N   LIG    1       -3.792   4.345  -2.136  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -3.977   5.335  -2.289  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.337   3.996  -0.765  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1       -2.569   1.597  -1.396  0.00  0.00    +0.034 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.747   2.661   0.249  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.657   1.741   0.193  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.279  -1.492  -0.648  0.00  0.00    +0.079 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.023  -1.531   0.688  0.00  0.00    +0.043 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.413  -2.095   0.535  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1       -4.628  -3.478   0.611  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -5.911  -4.004   0.448  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.988  -3.154   0.203  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.783  -1.778   0.120  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.502  -1.250   0.283  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5