REMARK  Name = BDB017010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.413  -1.834  -0.371  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        2.380  -0.882  -0.192  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.466  -1.560   0.330  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        3.158  -2.902   0.458  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        1.927  -3.034   0.023  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.755  -0.980   0.706  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        5.572  -1.765   1.453  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        6.772  -1.273   1.822  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        7.217  -0.012   1.484  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        6.371   0.787   0.718  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.123   0.301   0.320  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.751   2.155   0.301  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.060   2.915  -0.351  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.978   2.507   0.722  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.096   3.418   0.378  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1        0.078  -1.614  -0.893  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.928  -1.332   0.229  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.307  -1.179  -0.246  0.00  0.00    -0.310 NA
ATOM     19  H   LIG    1       -2.939  -1.192   0.557  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.524   0.082  -0.962  0.00  0.00    +0.116 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.792   1.282  -0.675  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -3.995   0.279  -1.270  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.591  -0.603  -2.196  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.941  -0.501  -2.529  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.723   0.483  -1.940  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.155   1.364  -1.020  0.00  0.00    +0.004 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -4.198   1.690   1.740  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -4.264   2.274   0.337  0.00  0.00    +0.032 C 
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9