REMARK  Name = BDB051309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.867   1.003   1.575  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -2.743   1.077   0.427  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -2.670   2.396  -0.038  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.354   2.863  -1.164  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -4.145   1.957  -1.862  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.262   0.635  -1.432  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -5.131  -0.278  -2.235  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -5.606   0.055  -3.314  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -5.385  -1.522  -1.710  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -6.083  -2.050  -2.219  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -5.128  -1.809  -0.323  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.757  -1.296   0.095  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -1.833   3.093   0.801  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -1.615   4.075   0.704  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -3.582   0.161  -0.275  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -1.341   2.268   1.767  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -1.534  -0.175   2.445  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.574  -1.170   1.790  0.00  0.00    +0.109 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.816  -1.382   1.226  0.00  0.00    +0.216 C 
ATOM     20  N   LIG    1        0.719  -0.585   1.480  0.00  0.00    -0.315 N 
ATOM     21  H   LIG    1        0.717   0.353   1.097  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.804  -2.598   1.388  0.00  0.00    -0.276 OA
BRANCH  19  27
ATOM     23  C   LIG    1        6.368   0.671  -1.546  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        5.258   0.292  -0.675  0.00  0.00    -0.305 NA
ATOM     25  C   LIG    1        3.968   0.647  -1.281  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1        2.788  -0.167  -0.738  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1        3.023  -0.606   0.710  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        4.330  -1.412   0.822  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1        5.315  -1.124  -0.315  0.00  0.00    +0.085 C 
ENDBRANCH  19  27
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4