REMARK  Name = BDB062939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.194  -1.880  -0.082  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.142  -2.012   1.024  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -2.213  -1.213   1.371  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -2.773  -1.389   2.460  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.762  -3.118   1.892  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        0.429  -3.787   1.215  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.348  -3.303  -0.231  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.789  -0.174   0.353  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -4.028   0.542   0.963  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -5.216  -0.406   0.784  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.771  -1.469  -0.210  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -3.472  -0.936  -0.808  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -1.766   0.900  -0.027  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.446   1.222  -1.357  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -0.504   2.216  -1.646  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.102   2.548  -3.287  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        0.131   2.912  -0.625  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.179   2.615   0.699  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -1.121   1.625   0.994  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  21
ATOM     20  O   LIG    1        1.293  -0.636   1.385  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        0.989  -0.922   0.231  0.00  0.00    +0.239 C 
ATOM     22  N   LIG    1        1.647  -0.523  -0.924  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        1.268  -0.812  -1.812  0.00  0.00    +0.156 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.741   0.358  -0.974  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1        3.285   0.823   0.158  0.00  0.00    -0.230 NA
ATOM     26  C   LIG    1        4.314   1.686   0.015  0.00  0.00    +0.091 A 
ATOM     27  C   LIG    1        4.810   2.083  -1.222  0.00  0.00    +0.065 A 
ATOM     28  N   LIG    1        5.843   2.957  -0.981  0.00  0.00    -0.359 N 
ATOM     29  H   LIG    1        6.395   3.410  -1.696  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1        6.011   3.122   0.371  0.00  0.00    +0.085 A 
ATOM     31  C   LIG    1        4.259   1.599  -2.404  0.00  0.00    +0.031 A 
ATOM     32  C   LIG    1        5.073   2.341   1.012  0.00  0.00    +0.047 A 
ATOM     33  C   LIG    1        3.193   0.711  -2.248  0.00  0.00    +0.046 A 
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 4