REMARK  Name = BDB012986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.823  -0.330   1.168  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.155  -0.165   0.198  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.562  -0.148   0.586  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1        2.318   0.097  -0.717  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1        1.340   0.996  -1.484  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.016   0.392  -1.138  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.518  -0.445   2.353  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1        3.647   0.617  -0.505  0.00  0.00    -0.242 N 
ATOM      9  C   LIG    1        4.713  -0.110  -0.039  0.00  0.00    +0.160 A 
ATOM     10  C   LIG    1        5.784   0.772   0.011  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        7.018   0.286   0.466  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        7.074  -1.060   0.837  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        5.923  -1.833   0.736  0.00  0.00    +0.132 A 
ATOM     14 CL   LIG    1        5.962  -3.494   1.181  0.00  0.00    -0.062 Cl
ATOM     15  C   LIG    1        5.251   1.993  -0.453  0.00  0.00    +0.144 A 
ATOM     16  N   LIG    1        4.713  -1.413   0.304  0.00  0.00    -0.216 NA
ATOM     17  N   LIG    1        3.955   1.907  -0.773  0.00  0.00    -0.177 NA
ENDBRANCH   4   8
BRANCH   1  22
ATOM     18  C   LIG    1       -4.411  -0.190   0.537  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1       -4.000  -0.827  -0.567  0.00  0.00    -0.178 NA
ATOM     20  N   LIG    1       -2.677  -0.958  -0.390  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1       -2.154  -1.485  -1.080  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1       -2.198  -0.356   0.738  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -3.323   0.109   1.390  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.414   1.066  -0.309  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1       -5.863   0.124   0.763  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -6.712  -1.146   0.854  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 3