REMARK  Name = BDB058262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.389   0.157   0.005  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        4.706   1.013   0.882  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        3.333   1.159   0.747  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1        2.410   1.992   1.583  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        1.161   2.057   0.689  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        1.158   0.757  -0.131  0.00  0.00    +0.216 C 
ATOM      7  C   LIG    1        0.328  -0.326   0.509  0.00  0.00    +0.273 C 
ATOM      8  O   LIG    1        0.467  -0.790   1.629  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -0.623  -0.664  -0.399  0.00  0.00    -0.195 N 
ATOM     10  C   LIG    1       -0.484   0.069  -1.521  0.00  0.00    +0.411 C 
ATOM     11  O   LIG    1       -1.169  -0.010  -2.528  0.00  0.00    -0.226 OA
ATOM     12  O   LIG    1        0.550   0.949  -1.403  0.00  0.00    -0.429 OA
ATOM     13  C   LIG    1        2.624   0.450  -0.229  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.282  -0.403  -1.099  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.670  -0.544  -0.977  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  20
ATOM     16  C   LIG    1       10.026  -1.275  -0.734  0.00  0.00    +0.129 C 
ATOM     17  N   LIG    1        8.944  -0.599  -0.061  0.00  0.00    -0.302 N 
ATOM     18  H   LIG    1        8.948  -0.655   0.947  0.00  0.00    +0.150 HD
ATOM     19  C   LIG    1        7.682  -0.614  -0.631  0.00  0.00    +0.304 C 
ATOM     20  N   LIG    1        6.782   0.036   0.184  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        7.196   0.608   0.904  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        7.456  -1.133  -1.715  0.00  0.00    -0.253 OA
ENDBRANCH   1  20
BRANCH   9  23
ATOM     23  C   LIG    1       -1.641  -1.670  -0.163  0.00  0.00    +0.215 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.762  -1.098   0.715  0.00  0.00    +0.234 C 
ATOM     25  N   LIG    1       -3.345   0.107   0.307  0.00  0.00    -0.293 N 
ATOM     26  C   LIG    1       -4.155   0.877   1.267  0.00  0.00    +0.078 C 
ATOM     27  C   LIG    1       -3.475   1.111   2.617  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1       -5.554   0.261   1.412  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -6.178   0.016   0.055  0.00  0.00    -0.041 A 
ATOM     30  C   LIG    1       -5.380  -0.040  -1.108  0.00  0.00    -0.027 A 
ATOM     31  C   LIG    1       -5.993  -0.272  -2.349  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -7.371  -0.473  -2.433  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.152  -0.441  -1.281  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.560  -0.200  -0.042  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -3.880   0.190  -1.056  0.00  0.00    +0.143 C 
ATOM     36  O   LIG    1       -3.114  -1.697   1.731  0.00  0.00    -0.274 OA
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 3