REMARK  Name = BDB046757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048  -0.291  -0.274  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.517  -1.610  -0.304  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.744  -1.902  -0.915  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1       -2.503  -0.872  -1.484  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.056   0.457  -1.442  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1       -0.826   0.736  -0.832  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.223  -0.902   0.337  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        2.038  -1.767  -0.164  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.252   0.077   0.362  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.374   1.206   0.826  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        4.341  -1.991   0.662  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1        3.534  -0.850   0.866  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1        4.043   0.249   1.567  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        5.355   0.227   2.055  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        6.151  -0.905   1.843  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        5.649  -2.010   1.149  0.00  0.00    +0.048 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.944   1.376   2.805  0.00  0.00    +0.160 C 
ATOM     18  O   LIG    1        7.057   1.262   3.314  0.00  0.00    -0.292 OA
ATOM     19  C   LIG    1        5.156   2.653   2.929  0.00  0.00    +0.091 C 
ENDBRANCH  14  17
BRANCH  11  20
ATOM     20  O   LIG    1        3.741  -3.018  -0.029  0.00  0.00    -0.490 OA
BRANCH  20  22
ATOM     21  C   LIG    1        3.580  -5.250  -0.846  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        4.472  -4.239  -0.147  0.00  0.00    +0.226 C 
ENDBRANCH  20  22
ENDBRANCH  11  20
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -2.281  -3.283  -0.973  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1       -3.337  -3.621  -1.472  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -1.458  -4.183  -0.407  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -1.941  -5.032  -0.500  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   3  23
BRANCH   5  27
ATOM     27  C   LIG    1       -2.893   1.560  -2.039  0.00  0.00    +0.198 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -4.157   1.555  -1.384  0.00  0.00    -0.347 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.010   2.593  -1.863  0.00  0.00    +0.250 C 
ATOM     30  O   LIG    1       -4.563   3.884  -1.467  0.00  0.00    -0.351 OA
ATOM     31  C   LIG    1       -4.437   4.041  -0.052  0.00  0.00    +0.163 C 
ATOM     32  C   LIG    1       -5.471   3.267   0.761  0.00  0.00    +0.028 C 
ATOM     33  C   LIG    1       -6.740   3.050  -0.043  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -6.438   2.344  -1.364  0.00  0.00    +0.061 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 10