REMARK  Name = BDB032811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.757   1.059  -2.369  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.940   0.307  -2.420  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.778   0.354  -1.322  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        4.055  -0.333  -1.108  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.476  -0.010   0.174  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.606   0.975   0.805  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        4.612  -1.049  -1.920  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.505   1.122  -0.190  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.348   1.875  -0.124  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.476   1.838  -1.219  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.817  -0.321   0.649  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.791   0.854   0.456  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.553   1.851  -0.222  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.995   0.731   1.114  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.629   1.510   0.991  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.232  -0.033   2.228  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.209   0.174   2.942  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.247  -1.145   2.507  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.834  -0.741   2.116  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.199   1.066  -3.538  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.500   0.715  -3.067  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.707   0.339  -3.618  0.00  0.00    -0.236 N 
ATOM     23  H   LIG    1       -4.366   0.287  -4.379  0.00  0.00    +0.160 HD
ATOM     24  C   LIG    1       -2.450   0.681  -4.030  0.00  0.00    +0.406 C 
ATOM     25  O   LIG    1       -2.239   0.925  -5.216  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -5.178  -0.580   0.191  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -3.870  -0.157  -0.048  0.00  0.00    +0.117 A 
ATOM     28  N   LIG    1       -3.359   0.151  -1.264  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -4.163   0.049  -2.331  0.00  0.00    +0.127 A 
ATOM     30  C   LIG    1       -5.489  -0.344  -2.203  0.00  0.00    +0.044 A 
ATOM     31  C   LIG    1       -5.997  -0.658  -0.940  0.00  0.00    +0.009 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -4.683  -1.908   2.285  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -5.655  -0.914   1.608  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -7.059  -1.561   1.650  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -5.711   0.384   2.440  0.00  0.00    +0.015 C 
ENDBRANCH  26  33
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6