REMARK  Name = BDB021580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.181   0.954  -1.031  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.984   1.657  -1.157  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.790   1.017  -1.548  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        0.764   1.914  -1.590  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.383   1.567  -2.346  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -1.136   0.454  -1.653  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.692  -0.845  -2.133  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.636  -1.255  -2.178  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.903  -2.414  -2.511  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.789  -0.361  -1.806  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        3.030  -1.044  -1.701  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.213  -0.401  -1.329  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1        5.702   2.697  -1.282  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        5.407   1.688  -0.647  0.00  0.00    +0.247 C 
ATOM     15  N   LIG    1        6.153   1.218   0.416  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1        5.763   0.214   1.398  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        6.661   0.488   2.597  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        7.919   1.062   1.957  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        7.358   1.915   0.830  0.00  0.00    +0.108 C 
ENDBRANCH   1  14
BRANCH   7  20
ATOM     20  C   LIG    1       -1.734  -1.844  -2.413  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.970  -2.875  -1.293  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.946  -3.835  -1.732  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.924  -4.572  -1.099  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.381  -2.267   0.072  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.424  -1.220   0.059  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -3.534  -0.614   1.402  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -4.646   0.406   1.522  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -5.727   0.399   0.626  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -6.762   1.331   0.775  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.737   2.249   1.823  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.676   2.247   2.726  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.737  -0.566  -0.531  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -4.637   1.328   2.579  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.741  -1.724  -0.358  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 6