REMARK  Name = BDB016918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.092  -0.891  -0.336  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.269  -0.123   0.663  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        1.067  -0.321   0.089  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.071  -1.042  -1.056  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        2.325  -1.169  -1.556  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        3.100  -0.501  -0.704  0.00  0.00    +0.135 A 
ATOM      7  N   LIG    1        2.345   0.046   0.329  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1        2.695   0.635   1.073  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -0.276  -1.437  -1.387  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1       -0.601  -2.105  -2.354  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -5.220  -0.412   2.412  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -4.485  -0.835   1.180  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -5.301  -1.472   0.100  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.513  -1.610   0.247  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.592  -1.876  -1.024  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -5.304  -2.510  -2.124  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -3.224  -1.685  -1.156  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -2.470  -1.101  -0.205  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -3.161  -0.680   1.007  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -0.613   1.352   0.780  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -0.959   2.127  -0.341  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.251   3.487  -0.205  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.192   4.087   1.049  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.549   5.761   1.216  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.839   3.340   2.171  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.547   1.980   2.037  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   6  27
ATOM     27  C   LIG    1        4.512  -0.272  -0.722  0.00  0.00    -0.005 C 
ATOM     28  C   LIG    1        5.337   0.263   0.431  0.00  0.00    +0.066 C 
ATOM     29  C   LIG    1        6.825  -0.019   0.243  0.00  0.00    +0.165 C 
ATOM     30  O   LIG    1        7.231   0.407  -1.055  0.00  0.00    -0.375 OA
ATOM     31  C   LIG    1        6.629  -0.389  -2.079  0.00  0.00    +0.187 C 
ATOM     32  C   LIG    1        5.158  -0.580  -1.866  0.00  0.00    +0.008 C 
ENDBRANCH   6  27
TORSDOF 3