REMARK  Name = BDB041028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.544   1.368  -0.570  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1        0.387   1.667   0.421  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -0.115   3.066   0.220  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.288   3.778   0.592  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -1.213   5.069   0.233  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -0.001   5.193  -0.340  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1        0.412   6.482  -0.836  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -2.496   3.294   1.308  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1        0.696   4.022  -0.346  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        1.989   3.824  -0.763  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.617   4.594  -0.954  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1        2.534   2.561  -0.676  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.756   2.413  -0.757  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -0.792   0.722   0.293  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -1.502   0.560  -0.904  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.581  -0.328  -0.991  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -2.993  -1.091   0.112  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -2.270  -0.928   1.308  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.190  -0.043   1.397  0.00  0.00    +0.004 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -4.170  -2.078   0.048  0.00  0.00    -0.013 C 
ATOM     21  C   LIG    1       -4.865  -2.134  -1.332  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -3.669  -3.504   0.365  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -5.243  -1.675   1.082  0.00  0.00    +0.015 C 
ENDBRANCH  17  20
ENDBRANCH   2  14
BRANCH   1  25
ATOM     24  C   LIG    1        2.160  -1.021  -0.855  0.00  0.00    +0.245 C 
ATOM     25  N   LIG    1        2.313   0.177  -0.196  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1        3.077   0.305   0.454  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1        1.309  -1.223  -1.712  0.00  0.00    -0.270 OA
BRANCH  24  31
ATOM     28  C   LIG    1        6.696  -2.629   0.651  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        5.277  -2.905   0.252  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        4.425  -1.851  -0.112  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        3.091  -2.109  -0.459  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1        2.612  -3.423  -0.459  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1        3.450  -4.471  -0.083  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        4.773  -4.212   0.280  0.00  0.00    +0.003 A 
ENDBRANCH  24  31
ENDBRANCH   1  25
TORSDOF 4