REMARK  Name = BDB016952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.701   2.851  -0.288  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.340   2.380  -0.190  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.931   1.067  -0.076  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.459   1.147  -0.043  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.868   2.469  -0.128  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.233   3.175  -0.215  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.852  -0.062  -0.026  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.097  -0.821  -1.175  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.986  -1.894  -1.119  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1       -3.287  -2.826  -2.534  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -3.636  -2.217   0.071  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.392  -1.464   1.220  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.501  -0.390   1.171  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        1.413   0.043   0.068  0.00  0.00    +0.092 A 
ATOM     15  N   LIG    1        0.921  -1.217   0.170  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        1.798  -2.236   0.270  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        3.167  -2.066   0.277  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.663  -0.767   0.173  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        2.777   0.306   0.067  0.00  0.00    +0.045 A 
BRANCH  18  20
ATOM     20  C   LIG    1        5.130  -0.578   0.180  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1        5.957  -1.466   0.273  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.493   0.710   0.071  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        6.473   0.689   0.088  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   4  14
TORSDOF 4