REMARK  Name = BDB012202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.237  -0.459  -0.785  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1        0.166   0.066  -1.648  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.200  -1.441  -0.702  0.00  0.00    +0.213 C 
ATOM      4  O   LIG    1        1.261  -2.251   0.217  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.736   0.519  -0.343  0.00  0.00    +0.174 C 
ATOM      6  C   LIG    1       -3.063  -0.625  -1.122  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1       -2.013  -1.345  -0.277  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -0.879  -0.396   0.152  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1       -1.349   1.060   0.303  0.00  0.00    +0.026 C 
ATOM     10  C   LIG    1       -2.810   1.133   0.720  0.00  0.00    +0.046 C 
BRANCH   5  11
ATOM     11  O   LIG    1       -4.897  -0.024   0.316  0.00  0.00    -0.488 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -6.835   0.936  -0.777  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1       -5.956   0.847   0.309  0.00  0.00    +0.138 A 
ATOM     14  C   LIG    1       -6.188   1.590   1.468  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -7.274   2.462   1.532  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -8.139   2.578   0.444  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -7.924   1.815  -0.706  0.00  0.00    +0.022 A 
BRANCH  12  19
ATOM     18  N   LIG    1       -6.492  -0.458  -2.938  0.00  0.00    -0.191 NA
ATOM     19  C   LIG    1       -6.645   0.150  -1.960  0.00  0.00    +0.103 C 
ENDBRANCH  12  19
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.237  -1.354  -1.807  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.114  -2.597  -1.975  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.915  -3.072  -0.759  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.576  -1.946  -0.002  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1        3.879  -1.464   1.075  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        2.954  -1.832   1.287  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        4.303  -0.402   1.831  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        3.634   0.073   2.740  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        5.618   0.151   1.460  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        6.268  -0.415   0.359  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        7.513   0.095  -0.015  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        8.094   1.148   0.699  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.431   1.703   1.795  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.187   1.206   2.180  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        5.715  -1.471  -0.387  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8