REMARK  Name = BDB034995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.844  -1.289   2.517  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.660  -0.436   1.293  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.532  -0.597   0.488  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -2.437   0.258  -0.631  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -1.319   0.114  -1.438  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -0.334  -0.838  -1.158  0.00  0.00    -0.010 A 
ATOM      7  C   LIG    1       -0.517  -1.621  -0.030  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -3.355   1.190  -0.955  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -4.429   1.311  -0.163  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -1.590  -1.521   0.784  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.616   0.533   0.966  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -5.348   2.297  -0.504  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -6.289   1.929  -0.571  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.039   2.708  -1.381  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        0.889  -0.980  -2.012  0.00  0.00    +0.141 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.987  -0.202  -1.481  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        1.877   0.803  -1.476  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        2.925  -0.783  -0.642  0.00  0.00    +0.263 C 
ATOM     19  O   LIG    1        2.930  -1.982  -0.386  0.00  0.00    -0.269 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.936   0.141  -0.031  0.00  0.00    +0.132 A 
ATOM     21  N   LIG    1        4.361  -0.190   1.210  0.00  0.00    -0.231 NA
ATOM     22  C   LIG    1        5.266   0.628   1.756  0.00  0.00    +0.225 A 
ATOM     23  N   LIG    1        5.771   1.730   1.185  0.00  0.00    -0.202 NA
ATOM     24  C   LIG    1        5.309   1.986  -0.041  0.00  0.00    +0.216 A 
ATOM     25  C   LIG    1        4.390   1.240  -0.722  0.00  0.00    +0.100 A 
BRANCH  24  26
ATOM     26  O   LIG    1        5.837   3.098  -0.612  0.00  0.00    -0.492 OA
ATOM     27  H   LIG    1        6.445   3.393   0.091  0.00  0.00    +0.294 HD
ENDBRANCH  24  26
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 5