REMARK  Name = BDB009172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.495  -0.303  -1.393  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.498   0.585  -1.817  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.725   0.104  -2.309  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.925  -1.283  -2.392  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.071  -2.170  -1.978  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.281  -1.685  -1.482  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.197   1.326  -1.297  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.777   0.254  -0.883  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        3.417  -0.491   0.084  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.890  -1.204   0.568  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.595   0.028   0.739  0.00  0.00    +0.141 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.242  -1.026   1.582  0.00  0.00    -0.012 A 
ATOM     13  C   LIG    1        6.013  -2.027   1.000  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1        6.600  -3.031   1.690  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        6.417  -3.036   3.028  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.667  -2.089   3.705  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.067  -1.072   2.968  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -1.794   1.071  -2.766  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.350   1.928  -1.631  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.401   1.369  -0.721  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.963  -0.008  -0.932  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.242  -0.276  -0.131  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.114   0.244   1.295  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.840   1.750   1.302  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.818   2.166   0.280  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -3.264   3.534   0.424  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -3.635   4.288   1.318  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -2.324   3.899  -0.500  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -1.922   4.826  -0.413  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -1.853   3.123  -1.512  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5