REMARK  Name = BDB065380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.685  -1.718   1.254  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1       -2.149  -2.897   0.806  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -3.472  -2.859   0.889  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1       -3.835  -1.639   1.403  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1       -2.697  -0.901   1.650  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.263  -1.447   1.273  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1        0.233  -0.910  -0.069  0.00  0.00    +0.024 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.750  -0.716  -0.119  0.00  0.00    +0.006 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.251   0.383   0.822  0.00  0.00    +0.035 C 
BRANCH   9  13
ATOM     10  C   LIG    1        6.499   1.026   0.335  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        5.578   1.786  -0.397  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        4.205   1.581  -0.236  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.733   0.617   0.662  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        4.655  -0.147   1.389  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.029   0.056   1.230  0.00  0.00    +0.015 A 
BRANCH  10  16
ATOM     16  C   LIG    1        7.949   1.285   0.124  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        8.380   2.122  -0.654  0.00  0.00    -0.245 OA
BRANCH  16  19
ATOM     18  C   LIG    1       10.109   0.663   0.759  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        8.701   0.471   0.907  0.00  0.00    -0.464 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  C   LIG    1       -5.264  -1.284   1.604  0.00  0.00    +0.185 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -5.704  -0.371   0.551  0.00  0.00    -0.293 N 
ATOM     22  C   LIG    1       -5.631   1.001   0.787  0.00  0.00    +0.350 A 
ATOM     23  O   LIG    1       -5.230   1.443   1.862  0.00  0.00    -0.244 OA
ATOM     24  N   LIG    1       -6.028   1.853  -0.214  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -6.412   1.379  -1.359  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -6.458  -0.074  -1.672  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.859  -0.547  -3.027  0.00  0.00    +0.049 C 
ATOM     28  C   LIG    1       -6.091  -0.876  -0.669  0.00  0.00    +0.097 A 
BRANCH  25  29
ATOM     29  N   LIG    1       -6.791   2.313  -2.287  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -7.567   2.067  -2.887  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -6.904   3.229  -1.862  0.00  0.00    +0.144 HD
ENDBRANCH  25  29
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10