REMARK  Name = BDB009218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.325   0.248   1.530  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.132  -0.885   1.357  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.323  -1.033   2.084  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.679  -0.039   3.007  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.884   1.097   3.172  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.713   1.248   2.431  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.979   0.964   1.364  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        1.883   1.189   2.349  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        0.917   0.368   0.716  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        0.911  -0.078  -0.425  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        4.196   1.812   1.751  0.00  0.00    +0.141 A 
ATOM     12  C   LIG    1        3.268   1.244   0.856  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.648   0.992  -0.467  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.942   1.292  -0.914  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        5.852   1.854  -0.020  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        5.484   2.114   1.306  0.00  0.00    +0.049 A 
BRANCH  14  17
ATOM     17  N   LIG    1        5.237   1.000  -2.262  0.00  0.00    -0.286 N 
ATOM     18  H   LIG    1        4.481   0.585  -2.795  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        6.432   1.201  -2.928  0.00  0.00    +0.214 C 
ATOM     20  O   LIG    1        7.468   1.661  -2.462  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1        6.366   0.750  -4.366  0.00  0.00    +0.109 C 
ENDBRANCH  14  17
BRANCH  11  23
ATOM     22  C   LIG    1        4.658   2.558   3.969  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        3.731   2.029   3.028  0.00  0.00    -0.493 OA
ENDBRANCH  11  23
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  24
ATOM     24  C   LIG    1       -3.189  -2.262   1.924  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.430  -2.674   0.475  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -4.303  -1.832  -0.403  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -4.988  -0.606   0.133  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1       -6.095  -0.081  -0.787  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.641  -0.076  -2.242  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.253  -1.483  -2.700  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -4.442  -2.233  -1.678  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -3.773  -3.473  -2.147  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1       -3.894  -3.877  -3.299  0.00  0.00    -0.266 OA
ATOM     34  N   LIG    1       -3.027  -4.139  -1.214  0.00  0.00    -0.243 N 
ATOM     35  H   LIG    1       -2.555  -4.985  -1.516  0.00  0.00    +0.192 HD
ATOM     36  N   LIG    1       -2.839  -3.763   0.078  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6