REMARK  Name = BDB009175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.820   0.288   0.305  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.295   1.134   0.223  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.464   0.853   0.945  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.494  -0.282   1.767  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.391  -1.132   1.847  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.763  -0.853   1.113  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.221   0.115  -0.068  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        3.292  -0.197   0.899  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        2.022   0.625  -0.509  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.914   1.341  -1.499  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.476   0.516  -0.663  0.00  0.00    +0.106 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.630  -0.389  -0.233  0.00  0.00    +0.034 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.925  -0.335   1.276  0.00  0.00    +0.085 C 
BRANCH  13  15
ATOM     14  C   LIG    1        5.063  -0.446   3.525  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        4.825  -0.837   2.130  0.00  0.00    -0.308 NA
ATOM     16  C   LIG    1        4.715  -2.299   2.050  0.00  0.00    +0.104 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -2.660   1.772   0.856  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.927   1.063   0.383  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -4.097   0.732  -1.068  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.065   1.136  -2.084  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -3.565   1.032  -3.529  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.323  -0.270  -3.753  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.526  -0.371  -2.813  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -5.215   0.066  -1.407  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -6.221  -0.277  -0.372  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -7.255  -0.876  -0.647  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -5.928   0.121   0.903  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -6.601  -0.107   1.626  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -4.801   0.770   1.300  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7