REMARK  Name = BDB054490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.394   2.060   0.304  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.182   1.459  -0.059  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -2.070   0.057  -0.007  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.133  -0.741   0.402  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -2.693  -2.099   0.354  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -1.361  -2.116  -0.082  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -0.655  -3.333  -0.212  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        0.761  -3.507  -0.664  0.00  0.00    +0.068 C 
ATOM      9  N   LIG    1       -1.315  -4.489   0.087  0.00  0.00    -0.258 NA
ATOM     10  C   LIG    1       -2.594  -4.462   0.501  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -3.334  -3.309   0.657  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.348  -0.122   0.763  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1       -1.014  -0.790  -0.305  0.00  0.00    -0.338 N 
ATOM     14  C   LIG    1       -4.467   1.273   0.710  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -4.590   4.099   0.576  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -3.390   3.427   0.215  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
BRANCH  13  17
ATOM     17  C   LIG    1        0.269  -0.300  -0.789  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.219   0.059   0.353  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.585   0.497  -0.183  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.535   0.862   0.967  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.884   1.298   0.589  0.00  0.00    -0.308 NA
ATOM     22  C   LIG    1        4.890   2.540  -0.179  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        5.654   0.258  -0.086  0.00  0.00    +0.104 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 6