REMARK  Name = BDB032271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.354   0.920   0.700  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -0.804  -0.055   1.451  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.535  -0.035   1.643  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        1.387   0.925   1.116  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.806   1.922   0.333  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.572   1.916   0.121  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.736   0.934   0.439  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1       -3.096   1.858   0.658  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -3.489  -0.123   1.113  0.00  0.00    +0.106 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -8.828  -1.381  -0.636  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -7.417  -1.333  -0.252  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -6.685  -0.390  -1.108  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -5.196  -0.367  -0.758  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.974  -0.034   0.725  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -5.812  -0.982   1.592  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -7.280  -0.980   1.165  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        2.867   0.882   1.369  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.575   0.629   0.127  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        3.027   0.107  -0.554  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.942   0.477  -0.036  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.455  -0.120  -1.137  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        6.897  -0.286  -1.310  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        7.790   0.219  -0.256  0.00  0.00    -0.002 A 
ATOM     24  C   LIG    1        9.118   0.071  -0.399  0.00  0.00    +0.094 A 
ATOM     25  N   LIG    1        9.638  -0.542  -1.510  0.00  0.00    -0.329 N 
ATOM     26  H   LIG    1       10.640  -0.650  -1.612  0.00  0.00    +0.168 HD
ATOM     27  C   LIG    1        8.878  -1.040  -2.538  0.00  0.00    +0.249 A 
ATOM     28  O   LIG    1        9.368  -1.584  -3.521  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        7.199   0.869   0.902  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        7.409  -0.886  -2.398  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        5.860   0.985   0.992  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6