REMARK  Name = BDB055695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.799  -0.448  -0.009  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1        0.970  -1.181   0.957  0.00  0.00    +0.093 C 
ATOM      3  C   LIG    1       -0.482  -0.776   0.636  0.00  0.00    +0.043 C 
ATOM      4  C   LIG    1       -0.359   0.446  -0.296  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -1.403   1.504   0.007  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1       -2.755   1.164   0.232  0.00  0.00    +0.035 A 
ATOM      7  N   LIG    1       -3.297  -0.142   0.186  0.00  0.00    -0.314 N 
ATOM      8  H   LIG    1       -4.310  -0.125   0.140  0.00  0.00    +0.152 HD
ATOM      9  C   LIG    1       -2.778  -1.412  -0.149  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.674  -2.355  -0.690  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.246  -3.616  -1.102  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.906  -3.954  -0.988  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.003  -3.039  -0.445  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -3.657   2.198   0.566  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -3.266   3.536   0.613  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -1.954   3.872   0.325  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -1.035   2.868   0.022  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -1.425  -1.773  -0.000  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        1.118   0.844  -0.147  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        3.199  -0.352   0.427  0.00  0.00    +0.115 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.588   0.150  -0.250  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1        4.118   0.430  -0.544  0.00  0.00    +0.125 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.915   1.843  -0.422  0.00  0.00    -0.391 OA
ATOM     24  H   LIG    1        4.072   2.085   0.506  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 3