REMARK  Name = BDB055358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.051   0.223   0.383  0.00  0.00    -0.000 A 
ATOM      2  C   LIG    1       -0.753  -0.311   1.396  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -2.119  -0.535   1.184  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.718  -0.236  -0.049  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -1.902   0.314  -1.055  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.538   0.538  -0.845  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.877  -1.141  -1.738  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1        4.914  -0.261  -0.540  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1        3.776   0.175   0.112  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1        4.152   0.969   1.177  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        3.152   1.560   2.035  0.00  0.00    +0.273 A 
ATOM     12  N   LIG    1        1.846   1.254   1.690  0.00  0.00    -0.319 N 
ATOM     13  H   LIG    1        1.134   1.677   2.272  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        1.482   0.462   0.620  0.00  0.00    +0.066 A 
ATOM     15  O   LIG    1        3.394   2.278   3.001  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        5.528   1.042   1.205  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.435  -0.075  -0.162  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        6.008   0.267   0.124  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   4  19
ATOM     19  C   LIG    1       -4.207  -0.450  -0.313  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -4.873  -1.501   0.588  0.00  0.00    +0.049 C 
BRANCH  19  21
ATOM     21  O   LIG    1       -4.375  -0.941  -1.661  0.00  0.00    -0.382 OA
ATOM     22  H   LIG    1       -3.737  -1.669  -1.770  0.00  0.00    +0.211 HD
ENDBRANCH  19  21
BRANCH  19  23
ATOM     23  C   LIG    1       -4.967   0.896  -0.226  0.00  0.00    +0.195 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -6.330   0.737  -0.629  0.00  0.00    -0.392 OA
ATOM     25  H   LIG    1       -6.287   0.208  -1.451  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   4  19
TORSDOF 5