REMARK  Name = BDB009241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.286   0.131   2.713  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.134   0.792   1.486  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        0.434   2.006   1.413  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.093   2.557   2.590  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.046   1.893   3.811  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.725   0.677   3.872  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.615  -2.017   3.628  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.982  -1.179   2.812  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        3.028  -1.381   1.938  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        3.306  -0.646   1.303  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.667  -2.676   1.797  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.817  -3.676   1.002  0.00  0.00    +0.055 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.471  -3.170  -0.374  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1        1.255  -2.537  -0.614  0.00  0.00    +0.114 A 
ATOM     15  N   LIG    1        0.901  -1.993  -1.801  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        1.791  -2.115  -2.809  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.023  -2.736  -2.679  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.369  -3.265  -1.440  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1        0.264   2.714   0.088  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.195   2.978  -0.275  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -2.047   1.861  -0.792  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -1.474   0.491  -1.028  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -2.386  -0.415  -1.861  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.835  -0.303  -1.405  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.336   1.138  -1.525  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.337   2.151  -1.039  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.843   3.531  -0.834  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -5.009   3.835  -1.064  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.928   4.443  -0.383  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -3.255   5.392  -0.235  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.625   4.192  -0.091  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6