REMARK  Name = BDB054481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.800   1.584   0.826  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.476   1.332   0.442  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.145   0.066  -0.071  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.099  -0.944  -0.201  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -1.441  -2.095  -0.735  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.099  -1.764  -0.921  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1        0.814  -2.689  -1.424  0.00  0.00    +0.137 A 
ATOM      8  N   LIG    1        0.394  -3.932  -1.747  0.00  0.00    -0.261 NA
ATOM      9  C   LIG    1       -0.905  -4.251  -1.571  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -1.867  -3.388  -1.073  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -3.427  -0.674   0.189  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        0.055  -0.452  -0.520  0.00  0.00    -0.339 N 
ATOM     13  C   LIG    1       -3.765   0.589   0.698  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -4.332   3.165   1.727  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -3.011   2.848   1.310  0.00  0.00    -0.495 OA
ENDBRANCH   1  15
BRANCH  12  16
ATOM     16  C   LIG    1        1.308   0.291  -0.575  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.113   0.149   0.715  0.00  0.00    +0.023 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.381   1.008   0.731  0.00  0.00    +0.017 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.423   0.562  -0.295  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.631   1.364  -0.160  0.00  0.00    -0.330 NA
ATOM     21  H   LIG    1        6.311   1.081  -0.865  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1        5.424   2.346  -0.340  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
TORSDOF 6