REMARK  Name = BDB018227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.615  -1.088   1.135  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        0.505  -0.751   2.439  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.670  -0.118   2.503  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -1.323  -0.046   1.252  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.464  -0.693   0.388  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.584   0.556   0.925  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.340   0.138  -0.111  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1       -4.564   0.711  -0.427  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -5.306   0.179  -1.559  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1       -5.107   1.760   0.307  0.00  0.00    +0.251 A 
ATOM     11  O   LIG    1       -6.186   2.300   0.084  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -4.281   2.239   1.444  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -3.103   1.663   1.718  0.00  0.00    +0.015 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     14  C   LIG    1        1.801  -1.823   0.674  0.00  0.00    +0.134 C 
ATOM     15  C   LIG    1        1.434  -3.276   0.357  0.00  0.00    +0.038 C 
BRANCH  14  18
ATOM     16  C   LIG    1        3.835   0.908  -1.068  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        3.174   0.152  -0.097  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        2.513  -1.051  -0.432  0.00  0.00    -0.020 A 
ATOM     19  C   LIG    1        2.532  -1.473  -1.770  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.195  -0.722  -2.741  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.843   0.461  -2.389  0.00  0.00    +0.045 A 
BRANCH  16  23
ATOM     22  C   LIG    1        4.474   2.611   0.464  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        4.502   2.083  -0.857  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 4