REMARK  Name = BDB058340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.690  -0.568   1.139  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1       -0.682  -0.335   1.231  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -1.130  -1.002   2.428  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.026  -1.621   3.009  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.103  -2.364   4.193  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -1.353  -2.477   4.807  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.478  -1.871   4.255  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.381  -1.133   3.069  0.00  0.00    +0.010 A 
ATOM      9  N   LIG    1        1.054  -1.350   2.208  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1        1.995  -1.673   2.383  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.580   0.445   0.318  0.00  0.00    +0.141 C 
ATOM     12  N   LIG    1       -1.142   1.824   0.185  0.00  0.00    -0.276 N 
ATOM     13  C   LIG    1       -0.891   2.167  -1.131  0.00  0.00    +0.248 C 
ATOM     14  O   LIG    1       -0.626   3.267  -1.578  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -1.034   0.941  -1.927  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -0.831   0.759  -3.281  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -1.044  -0.521  -3.794  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -1.458  -1.571  -2.953  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -1.663  -1.361  -1.584  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -1.435  -0.091  -1.075  0.00  0.00    -0.010 A 
BRANCH  12  21
ATOM     21  C   LIG    1       -1.313   2.808   1.240  0.00  0.00    +0.229 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.735   3.320   1.425  0.00  0.00    +0.322 C 
ATOM     23  O   LIG    1       -3.079   4.165   2.239  0.00  0.00    -0.249 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.659   2.755   0.621  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -4.483   3.241   0.836  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  12  21
ENDBRANCH   2  11
BRANCH   1  28
ATOM     26  C   LIG    1        3.046  -0.673  -1.794  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        2.118  -1.060  -0.824  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        1.678  -0.156   0.149  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        2.188   1.144   0.157  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        3.116   1.536  -0.807  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        3.545   0.630  -1.781  0.00  0.00    +0.045 A 
BRANCH  26  33
ATOM     32  C   LIG    1        4.245  -1.280  -3.753  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        3.382  -1.654  -2.687  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH   1  28
TORSDOF 6