REMARK  Name = BDB018248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.515   0.901   0.519  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        0.811   1.146   1.646  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.308   0.434   1.484  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.337  -0.261   0.256  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.858   0.065  -0.348  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.355  -1.125  -0.272  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.785  -0.832  -0.127  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -3.726  -1.678  -0.565  0.00  0.00    +0.116 A 
ATOM      9  C   LIG    1       -3.348  -2.919  -1.277  0.00  0.00    +0.255 A 
ATOM     10  O   LIG    1       -4.231  -3.667  -1.685  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -1.983  -3.133  -1.433  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -1.526  -4.339  -2.106  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.033  -2.260  -0.927  0.00  0.00    +0.101 A 
BRANCH   7  14
ATOM     14  O   LIG    1       -3.136   0.326   0.545  0.00  0.00    -0.488 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.265   1.444  -0.369  0.00  0.00    +0.174 C 
ATOM     16  C   LIG    1       -4.682   1.723  -0.932  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.888   2.711   0.230  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.357   2.830   0.319  0.00  0.00    +0.044 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1        3.042   2.827   1.045  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.833   1.508   0.295  0.00  0.00    +0.134 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.943   0.509   0.588  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1        4.076  -0.083   1.855  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        5.103  -0.992   2.112  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.013  -1.318   1.109  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.898  -0.736  -0.151  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.870   0.173  -0.411  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5