REMARK  Name = BDB044048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.730   0.078   0.554  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -1.683   0.176  -0.346  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -0.339   0.070  -0.069  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1        0.323   0.210  -1.280  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -0.647   0.419  -2.385  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -0.444   0.576  -3.569  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        1.649   0.187  -1.476  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -1.934   0.385  -1.701  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.207   0.518  -2.220  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.271   0.440  -1.322  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.038   0.223   0.053  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.693   0.016  -0.453  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        2.507  -0.729   0.720  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.546  -0.880   1.644  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.786  -0.297   1.397  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        6.064  -0.486   2.531  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        4.996   0.432   0.231  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.955   0.584  -0.691  0.00  0.00    +0.009 A 
ENDBRANCH   7  12
BRANCH   1  22
ATOM     19  N   LIG    1       -3.446  -0.779   2.716  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -3.200  -1.028   3.666  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.193  -1.301   2.280  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1       -2.467  -0.150   1.996  0.00  0.00    +0.245 C 
ATOM     23  O   LIG    1       -1.419   0.182   2.530  0.00  0.00    -0.270 OA
ENDBRANCH   1  22
TORSDOF 2