REMARK  Name = BDB012410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.426   0.987   0.218  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        0.271  -0.016  -0.745  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -1.053  -0.192  -1.039  0.00  0.00    -0.167 NA
ATOM      4  C   LIG    1       -1.724   0.644  -0.242  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.840   1.420   0.539  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        1.261  -0.817  -1.420  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        0.819  -1.707  -2.354  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        1.724  -2.470  -2.998  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        3.081  -2.400  -2.765  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.543  -1.492  -1.812  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.616  -0.690  -1.130  0.00  0.00    +0.060 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.967  -1.379  -1.527  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        5.928  -2.106  -2.126  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        7.014  -1.617  -1.511  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        7.952  -1.948  -1.721  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.796  -0.664  -0.600  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        5.481  -0.500  -0.600  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  18
ATOM     18  O   LIG    1        1.601   1.401   0.689  0.00  0.00    -0.492 OA
ATOM     19  H   LIG    1        1.427   2.090   1.355  0.00  0.00    +0.294 HD
ENDBRANCH   1  18
BRANCH   4  20
ATOM     20  C   LIG    1       -3.219   0.682  -0.325  0.00  0.00    +0.094 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.765   0.942   1.061  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1       -3.860  -0.058   2.045  0.00  0.00    +0.045 A 
ATOM     23 CL   LIG    1       -3.368  -1.687   1.750  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -4.367   0.241   3.314  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -4.790   1.534   3.619  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.709   2.534   2.654  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.202   2.241   1.386  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5