REMARK  Name = BDB047097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.697   0.807   0.577  0.00  0.00    -0.310 NA
ATOM      2  H   LIG    1        0.929  -0.166   0.752  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.730   0.963   0.276  0.00  0.00    +0.094 C 
BRANCH   3   7
ATOM      4  N   LIG    1       -3.654  -0.402  -0.349  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -2.765   0.435  -1.012  0.00  0.00    +0.220 C 
ATOM      6  O   LIG    1       -3.126   1.462  -1.591  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.278   0.119  -0.894  0.00  0.00    +0.089 C 
ATOM      8  C   LIG    1       -1.021  -1.384  -0.777  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -1.845  -1.984   0.348  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -3.319  -1.759   0.067  0.00  0.00    +0.108 C 
BRANCH   4  12
ATOM     11  C   LIG    1       -5.438   0.714   0.923  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -5.072  -0.046  -0.341  0.00  0.00    +0.104 C 
ENDBRANCH   4  12
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1        1.561   1.361  -0.473  0.00  0.00    +0.136 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.035   1.300  -0.107  0.00  0.00    +0.056 A 
ATOM     15  N   LIG    1        3.679   2.475   0.107  0.00  0.00    -0.259 NA
ATOM     16  C   LIG    1        4.986   2.431   0.441  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        5.704   1.259   0.567  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.036   0.059   0.336  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        3.683   0.073  -0.007  0.00  0.00    +0.039 A 
BRANCH  18  20
ATOM     20  C   LIG    1        5.798  -1.203   0.467  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        6.976  -1.296   0.757  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.048  -2.293   0.226  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        5.675  -3.038   0.348  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 7