REMARK  Name = BDB062161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.452   0.662  -0.692  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -2.191   0.173  -0.391  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -1.712  -0.114   0.963  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.219   0.176   1.102  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1        0.645  -0.658   0.112  0.00  0.00    +0.095 C 
ATOM      6  C   LIG    1       -0.147  -0.943  -1.198  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -1.217   0.108  -1.473  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -3.747   1.145  -1.783  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.973   0.112  -0.076  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        2.915   0.136   0.975  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.122   0.830   0.852  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        4.404   1.523  -0.319  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        5.887   2.378  -0.474  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        3.485   1.533  -1.362  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.276   0.838  -1.240  0.00  0.00    +0.006 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  C   LIG    1       -4.860  -0.511   0.969  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -4.492   0.626   0.365  0.00  0.00    +0.060 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  C   LIG    1        0.902  -2.055   0.721  0.00  0.00    +0.315 C 
ATOM     19  O   LIG    1        0.275  -2.527   1.659  0.00  0.00    -0.250 OA
BRANCH  18  20
ATOM     20  O   LIG    1        1.877  -2.764   0.100  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1        2.335  -2.280  -0.614  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 4