REMARK  Name = BDB024083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.838  -0.458  -0.292  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.530  -0.146  -0.208  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        1.260  -1.488  -0.353  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        3.346  -1.608  -0.447  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.425   1.875   1.099  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        4.418   0.906   1.013  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.920   0.581  -0.205  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.332   1.138  -1.392  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1        3.639   0.659  -2.934  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        5.330   2.097  -1.300  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        5.864   2.458  -0.092  0.00  0.00    +0.020 A 
BRANCH   5  13
ATOM     12  N   LIG    1        6.487   2.599   3.370  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        5.999   2.271   2.353  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1        0.205   0.170  -0.124  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -0.927  -0.578  -0.213  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1       -2.226  -0.121  -0.071  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1       -2.367   1.191   0.175  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -1.324   2.019   0.281  0.00  0.00    +0.115 A 
ATOM     19  C   LIG    1       -0.044   1.567   0.143  0.00  0.00    +0.043 A 
BRANCH  16  20
ATOM     20  N   LIG    1       -3.366  -0.946  -0.157  0.00  0.00    -0.311 N 
ATOM     21  C   LIG    1       -4.675  -0.301   0.059  0.00  0.00    +0.134 C 
ATOM     22  C   LIG    1       -5.566  -1.300   0.806  0.00  0.00    +0.178 C 
ATOM     23  O   LIG    1       -5.613  -2.459   0.057  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1       -4.422  -3.129   0.151  0.00  0.00    +0.178 C 
ATOM     25  C   LIG    1       -3.264  -2.338  -0.436  0.00  0.00    +0.134 C 
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 4