REMARK  Name = BDB053803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.156   0.385  -0.505  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.470  -0.834  -0.758  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        1.843  -0.982  -0.523  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        2.609   0.084  -0.041  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1        1.973   1.300   0.226  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        0.603   1.448  -0.008  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.979  -0.112   0.213  0.00  0.00    -0.149 NA
ATOM      8  N   LIG    1        4.671   0.653  -0.494  0.00  0.00    -0.149 NA
BRANCH   8   9
ATOM      9  C   LIG    1        6.042   0.452  -0.247  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        6.609   0.682   1.014  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        7.979   0.505   1.222  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        8.796   0.105   0.166  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.247  -0.114  -1.097  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.876   0.064  -1.301  0.00  0.00    +0.029 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -1.478   0.673  -0.680  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.339  -0.300  -1.264  0.00  0.00    +0.229 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.924  -1.235  -0.206  0.00  0.00    +0.042 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.768  -0.559   0.892  0.00  0.00    +0.021 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -5.934  -1.152  -0.309  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -5.210  -0.082   0.526  0.00  0.00    +0.062 C 
ATOM     21  C   LIG    1       -5.981   0.139   1.844  0.00  0.00    +0.022 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.183   1.279  -0.186  0.00  0.00    +0.310 C 
ATOM     23  O   LIG    1       -4.226   2.038  -0.197  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -6.348   1.635  -0.774  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -7.092   1.022  -0.643  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9