REMARK  Name = BDB055355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.045   0.335   0.432  0.00  0.00    -0.000 A 
ATOM      2  C   LIG    1       -0.737  -0.038   1.530  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -2.110  -0.259   1.379  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.745  -0.105   0.132  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -1.949   0.261  -0.963  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.573   0.482  -0.814  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.780  -1.452  -1.574  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1        4.869  -0.401  -0.527  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1        3.758   0.156   0.079  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1        4.180   1.093   1.002  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        3.217   1.830   1.785  0.00  0.00    +0.273 A 
ATOM     12  N   LIG    1        1.896   1.506   1.523  0.00  0.00    -0.319 N 
ATOM     13  H   LIG    1        1.209   2.027   2.054  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        1.486   0.572   0.595  0.00  0.00    +0.066 A 
ATOM     15  O   LIG    1        3.500   2.681   2.624  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        5.558   1.136   0.983  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.406  -0.101  -0.120  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        5.992   0.196   0.022  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   4  19
ATOM     19  C   LIG    1       -4.246  -0.368   0.014  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -4.532  -1.873   0.099  0.00  0.00    +0.049 C 
BRANCH  19  21
ATOM     21  O   LIG    1       -4.922   0.254   1.129  0.00  0.00    -0.382 OA
ATOM     22  H   LIG    1       -4.447   1.082   1.324  0.00  0.00    +0.211 HD
ENDBRANCH  19  21
BRANCH  19  23
ATOM     23  C   LIG    1       -4.914   0.232  -1.250  0.00  0.00    +0.195 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -6.339   0.116  -1.182  0.00  0.00    -0.392 OA
ATOM     25  H   LIG    1       -6.564   0.258  -0.240  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   4  19
TORSDOF 5