REMARK  Name = BDB054154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.231  -0.009   1.708  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -0.103  -0.340   1.886  0.00  0.00    +0.171 A 
ATOM      3  N   LIG    1       -0.500   0.012   3.177  0.00  0.00    -0.211 NA
ATOM      4  C   LIG    1        0.582   0.537   3.699  0.00  0.00    +0.309 A 
ATOM      5  O   LIG    1        1.663   0.567   2.880  0.00  0.00    -0.442 OA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        4.236  -0.300  -1.332  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        3.296  -1.317  -1.167  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.309  -1.230  -0.178  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.241  -0.116   0.664  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.195   0.899   0.496  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.183   0.812  -0.494  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        6.107   0.508  -2.555  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        5.142  -0.513  -2.333  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1       -1.036  -0.930   0.932  0.00  0.00    +0.266 C 
ATOM     15  N   LIG    1       -2.281  -1.138   1.482  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -2.422  -0.758   2.413  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -0.759  -1.199  -0.232  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -3.417  -1.544   0.697  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.211  -0.352   0.239  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -5.304   0.112   0.976  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -5.986   1.231   0.519  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1       -5.653   1.910  -0.598  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1       -4.586   1.454  -1.289  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -3.843   0.345  -0.916  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   2  14
TORSDOF 5