REMARK  Name = BDB027562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.360  -0.385   2.334  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.264   0.130   1.669  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.010   0.282   2.356  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.951   0.904   1.314  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.390   0.339   0.006  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.114   0.359   0.240  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.316  -0.763   3.501  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.098  -0.807   0.272  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        5.535  -1.881   0.975  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.315  -1.736   1.643  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.641  -0.514   1.602  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.208   0.571   0.931  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.428   0.420   0.261  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.054  -0.151  -1.156  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        7.329  -1.038  -0.376  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        7.721  -1.965  -0.263  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.736   0.998  -1.440  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1       10.169   0.167  -2.506  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        9.345  -0.782  -1.655  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.333   0.517   1.543  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -2.528  -0.478   1.562  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.284   1.105   0.729  0.00  0.00    +0.217 A 
ATOM     23  N   LIG    1       -4.363   0.358   0.472  0.00  0.00    -0.196 NA
ATOM     24  C   LIG    1       -5.332   0.885  -0.305  0.00  0.00    +0.149 A 
ATOM     25  C   LIG    1       -5.229   2.158  -0.840  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -6.274   2.721  -1.676  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1       -7.356   1.982  -1.934  0.00  0.00    +0.071 A 
ATOM     28  C   LIG    1       -7.519   0.610  -1.391  0.00  0.00    +0.253 A 
ATOM     29  O   LIG    1       -8.548   0.006  -1.687  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -4.077   2.841  -0.526  0.00  0.00    +0.126 A 
ATOM     31  N   LIG    1       -6.499   0.110  -0.591  0.00  0.00    -0.290 N 
ATOM     32  N   LIG    1       -3.097   2.337   0.245  0.00  0.00    -0.222 NA
BRANCH  31  33
ATOM     33  C   LIG    1       -6.603  -1.245  -0.011  0.00  0.00    +0.086 C 
ATOM     34  C   LIG    1       -6.646  -2.331  -1.090  0.00  0.00    +0.031 C 
ATOM     35  C   LIG    1       -7.788  -1.369   0.952  0.00  0.00    +0.031 C 
ENDBRANCH  31  33
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6