REMARK  Name = BDB013254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.017   1.471  -0.054  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.829   0.921  -1.008  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.196   1.125  -0.797  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.152   0.620  -1.691  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -2.714  -0.102  -2.809  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.352  -0.307  -3.025  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.410   0.203  -2.127  0.00  0.00    +0.045 A 
BRANCH   4   8
ATOM      8  C   LIG    1       -4.626   0.836  -1.442  0.00  0.00    +0.116 C 
BRANCH   8   9
ATOM      9  N   LIG    1       -5.318  -0.360  -0.956  0.00  0.00    -0.309 NA
ATOM     10  H   LIG    1       -5.072  -1.141  -1.562  0.00  0.00    +0.123 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -5.007  -0.711   0.434  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -5.695   0.204   1.452  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -7.149  -0.261   1.479  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -7.123  -1.732   1.060  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -5.657  -2.057   0.778  0.00  0.00    +0.019 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        1.396   1.262  -0.201  0.00  0.00    +0.261 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.088   1.957   0.975  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.678   3.339   0.990  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1        0.706   3.324   0.894  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        3.629   1.930   0.927  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.255   0.609   1.050  0.00  0.00    -0.291 NA
ATOM     22  C   LIG    1        5.644   0.718   1.574  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        6.405  -0.375   0.898  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1        5.651  -0.873  -0.160  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1        6.141  -1.875  -0.981  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        7.415  -2.381  -0.714  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.176  -1.878   0.354  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.673  -0.861   1.169  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.348  -0.144  -0.225  0.00  0.00    +0.120 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9