REMARK  Name = BDB063563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.625   2.934   1.875  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.020   1.819   1.086  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -1.777   0.939   0.177  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -3.093   1.054  -0.039  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1       -0.758  -0.011  -0.344  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1       -0.953  -0.957  -1.083  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        0.427   0.441   0.270  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        0.249   1.525   1.126  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        1.733  -0.097   0.134  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        2.005  -1.188  -0.703  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.304  -1.703  -0.823  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.358  -1.132  -0.105  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.104  -0.043   0.733  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.804   0.466   0.848  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        5.747  -1.641  -0.199  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        6.712  -1.196   0.395  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.864  -2.688  -1.035  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        6.818  -2.913  -0.997  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.819   0.261  -0.965  0.00  0.00    +0.128 A 
ATOM     20  O   LIG    1       -3.340  -0.124  -2.194  0.00  0.00    -0.464 OA
ATOM     21  C   LIG    1       -4.296  -0.847  -2.823  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1       -5.423  -0.924  -2.048  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1       -5.125  -0.205  -0.865  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
TORSDOF 4