REMARK  Name = BDB052957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.373  -0.469  -2.799  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.177  -1.066  -1.101  0.00  0.00    +0.090 A 
ATOM      3  N   LIG    1       -1.167  -1.396  -1.994  0.00  0.00    -0.340 N 
ATOM      4  C   LIG    1       -1.031  -2.764  -2.063  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1       -1.917  -3.330  -1.181  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.625  -2.272  -0.571  0.00  0.00    +0.031 A 
BRANCH   2   7
ATOM      7  C   LIG    1       -2.603   0.293  -0.784  0.00  0.00    +0.209 C 
ATOM      8  O   LIG    1       -1.938   1.294  -1.043  0.00  0.00    -0.285 OA
BRANCH   7  13
ATOM      9  C   LIG    1       -7.643   1.277   1.899  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -6.347   1.034   1.182  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1       -5.179   1.690   1.590  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.966   1.443   0.943  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -3.907   0.518  -0.104  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.071  -0.136  -0.522  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -6.283   0.114   0.127  0.00  0.00    +0.004 A 
ENDBRANCH   7  13
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.876   0.056  -2.142  0.00  0.00    -0.005 C 
ATOM     17  C   LIG    1        1.411  -0.337  -0.973  0.00  0.00    +0.005 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.634   0.248  -0.408  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        3.594  -0.597   0.162  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        4.762  -0.082   0.738  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        4.970   1.297   0.741  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.011   2.150   0.189  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.846   1.629  -0.376  0.00  0.00    +0.008 A 
BRANCH  20  24
ATOM     24  O   LIG    1        5.607  -1.030   1.245  0.00  0.00    -0.481 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.733  -0.597   1.993  0.00  0.00    +0.349 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.940  -0.192   1.160  0.00  0.00    +0.343 C 
ATOM     27  O   LIG    1        8.067  -0.227  -0.052  0.00  0.00    -0.247 OA
BRANCH  26  28
ATOM     28  O   LIG    1        8.961   0.248   1.930  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        9.666   0.458   1.280  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   1  16
TORSDOF 9