REMARK  Name = BDB002838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314   2.240   0.104  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.151   2.178   0.163  0.00  0.00    -0.311 NA
ATOM      3  H   LIG    1       -1.512   1.633  -0.621  0.00  0.00    +0.122 HD
BRANCH   2   4
ATOM      4  C   LIG    1       -1.654   1.609   1.421  0.00  0.00    +0.125 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -3.199   1.483   1.438  0.00  0.00    +0.186 C 
ATOM      6  C   LIG    1       -3.877   2.845   1.279  0.00  0.00    +0.053 C 
BRANCH   5   7
ATOM      7  O   LIG    1       -3.658   0.662   0.350  0.00  0.00    -0.469 OA
BRANCH   7  10
ATOM      8  C   LIG    1       -4.773  -1.525  -1.612  0.00  0.00    +0.075 C 
ATOM      9  C   LIG    1       -4.137  -1.663  -0.289  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1       -3.653  -0.672   0.572  0.00  0.00    +0.279 A 
ATOM     11  N   LIG    1       -3.136  -1.216   1.670  0.00  0.00    -0.011 NA
ATOM     12  O   LIG    1       -3.314  -2.589   1.487  0.00  0.00    -0.239 OA
ATOM     13  N   LIG    1       -3.928  -2.862   0.264  0.00  0.00    -0.050 NA
ENDBRANCH   7  10
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        1.029   0.880  -0.059  0.00  0.00    +0.116 C 
BRANCH  14  15
ATOM     15  N   LIG    1        2.465   1.085  -0.252  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        2.850   1.806   0.356  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.321  -0.016  -0.351  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        4.704   0.207  -0.244  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        5.628  -0.831  -0.402  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        5.170  -2.116  -0.700  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.802  -2.358  -0.849  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.891  -1.306  -0.688  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.130  -3.213  -0.870  0.00  0.00    +0.056 N 
ATOM     24  O   LIG    1        5.682  -4.334  -1.151  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        7.333  -2.955  -0.721  0.00  0.00    -0.126 OA
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 9