REMARK  Name = BDB022805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.183   1.089  -0.325  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        0.572   0.811  -1.761  0.00  0.00    +0.155 C 
ATOM      3  C   LIG    1        1.974   0.159  -1.678  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1        2.618   0.783  -0.411  0.00  0.00    +0.123 C 
ATOM      5  C   LIG    1        1.445   1.088   0.502  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        0.651   2.359   0.361  0.00  0.00    +0.019 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.598  -0.107   0.209  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        4.942   0.162   0.317  0.00  0.00    +0.146 A 
ATOM      9  C   LIG    1        5.548  -0.917   0.947  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        6.933  -0.834   1.149  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1        7.589   0.266   0.734  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1        6.878   1.239   0.131  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1        4.524  -1.864   1.224  0.00  0.00    +0.032 A 
ATOM     14  N   LIG    1        5.558   1.276  -0.112  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        3.334  -1.341   0.763  0.00  0.00    +0.089 A 
BRANCH  10  16
ATOM     16  N   LIG    1        7.679  -1.821   1.778  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        7.172  -2.358   2.467  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        8.578  -1.452   2.067  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   2  19
ATOM     19  O   LIG    1        0.635   2.036  -2.493  0.00  0.00    -0.388 OA
ATOM     20  H   LIG    1        1.486   2.022  -2.975  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        2.717   0.458  -2.863  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1        2.408  -0.148  -3.561  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   1  23
ATOM     23  C   LIG    1       -1.030   0.363   0.194  0.00  0.00    +0.239 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.173   0.826  -0.522  0.00  0.00    -0.491 OA
BRANCH  24  30
ATOM     25  C   LIG    1       -8.476  -0.901  -0.135  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -7.158  -1.215   0.462  0.00  0.00    +0.040 A 
ATOM     27  N   LIG    1       -5.977  -0.601   0.099  0.00  0.00    -0.304 N 
ATOM     28  C   LIG    1       -4.976  -1.167   0.885  0.00  0.00    +0.141 A 
ATOM     29  C   LIG    1       -3.644  -0.694   0.699  0.00  0.00    +0.092 A 
ATOM     30  C   LIG    1       -3.389   0.267  -0.218  0.00  0.00    +0.125 A 
ATOM     31  C   LIG    1       -4.470   0.831  -1.020  0.00  0.00    +0.064 A 
ATOM     32  N   LIG    1       -5.458  -2.083   1.697  0.00  0.00    -0.236 NA
ATOM     33  C   LIG    1       -5.728   0.391  -0.847  0.00  0.00    +0.096 A 
ATOM     34  C   LIG    1       -6.804  -2.118   1.444  0.00  0.00    +0.134 A 
ENDBRANCH  24  30
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7