REMARK  Name = BDB050584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.550  -0.581   1.141  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.877   0.043   1.866  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.401  -1.009   0.146  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        1.097  -1.839  -0.702  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.770  -0.428   0.147  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.817  -1.205  -0.352  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        5.109  -0.666  -0.370  0.00  0.00    +0.168 A 
ATOM      8  C   LIG    1        5.395   0.626   0.092  0.00  0.00    +0.150 A 
ATOM      9  C   LIG    1        4.330   1.395   0.572  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.026   0.875   0.595  0.00  0.00    +0.017 A 
BRANCH   7  11
ATOM     11  N   LIG    1        6.174  -1.496  -0.890  0.00  0.00    +0.060 N 
ATOM     12  O   LIG    1        6.681  -1.163  -1.969  0.00  0.00    -0.126 OA
ATOM     13  O   LIG    1        6.463  -2.507  -0.234  0.00  0.00    -0.126 OA
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  O   LIG    1        6.698   1.035   0.062  0.00  0.00    -0.493 OA
ATOM     15  C   LIG    1        6.977   2.390   0.394  0.00  0.00    +0.277 C 
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.820  -1.051   1.220  0.00  0.00    +0.106 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.751  -0.199   0.359  0.00  0.00    +0.034 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.191  -0.725   0.431  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -4.137   0.155  -0.287  0.00  0.00    -0.303 NA
BRANCH  19  21
ATOM     20  C   LIG    1       -5.774   0.626   1.530  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -5.517  -0.061   0.192  0.00  0.00    +0.081 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -4.053  -0.074  -1.744  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -4.594   1.109  -2.542  0.00  0.00    +0.020 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9