REMARK  Name = BDB012918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.958   0.494  -0.532  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.068  -0.754  -0.511  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.289  -0.239  -0.382  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.351  -1.121  -0.251  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.158  -2.333  -0.187  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.275   1.180  -0.052  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        1.169   1.472   0.335  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.678  -0.564  -0.178  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -3.146   0.490  -0.911  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -2.652   1.020  -1.619  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -4.417   0.827  -0.641  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.821  -0.108   0.229  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.773  -1.008   0.535  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.226  -0.126   0.760  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -7.252  -0.335  -0.355  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -6.548   1.140   1.558  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        4.233  -0.371  -0.832  0.00  0.00    +0.245 C 
ATOM     18  N   LIG    1        3.300   0.267  -0.041  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1        3.486   0.325   0.952  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        4.045  -0.667  -2.005  0.00  0.00    -0.273 OA
BRANCH  17  21
ATOM     21  C   LIG    1        5.525  -0.692  -0.141  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        5.990  -2.132  -0.124  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        5.555  -1.476   1.151  0.00  0.00    +0.048 C 
BRANCH  21  25
ATOM     24  C   LIG    1        6.335   1.559   0.179  0.00  0.00    +0.195 C 
ATOM     25  O   LIG    1        6.603   0.261  -0.331  0.00  0.00    -0.367 OA
ENDBRANCH  21  25
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 5