REMARK  Name = BDB016902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.768   0.345   0.809  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.988   0.469  -0.476  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        0.377   0.432   0.057  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.439   0.302   1.402  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        1.722   0.279   1.840  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        2.456   0.356   0.733  0.00  0.00    +0.135 A 
ATOM      7  N   LIG    1        1.649   0.476  -0.394  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1        1.980   0.577  -1.345  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -0.896   0.243   1.948  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1       -1.167   0.149   3.134  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -5.992  -0.066   3.431  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -5.229   0.215   2.176  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -6.030   0.577   0.968  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -7.254   0.652   1.037  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -5.295   0.806  -0.192  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -6.000   1.152  -1.417  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -3.912   0.729  -0.226  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -3.165   0.418   0.853  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -3.889   0.147   2.086  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1       -1.228  -0.643  -1.482  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.403  -1.981  -1.086  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.603  -2.986  -2.035  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.622  -2.666  -3.389  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.866  -3.904  -4.559  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.440  -1.349  -3.804  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.240  -0.343  -2.856  0.00  0.00    +0.007 A 
ENDBRANCH   2  20
BRANCH   6  27
ATOM     27  C   LIG    1        3.874   0.408   0.594  0.00  0.00    -0.007 C 
ATOM     28  C   LIG    1        4.746   1.170   1.575  0.00  0.00    +0.054 C 
ATOM     29  C   LIG    1        6.233   0.799   1.491  0.00  0.00    +0.089 C 
ATOM     30  N   LIG    1        6.670   0.744   0.089  0.00  0.00    -0.301 NA
ATOM     31  C   LIG    1        8.114   0.542   0.001  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1        5.955  -0.324  -0.620  0.00  0.00    +0.111 C 
ATOM     33  C   LIG    1        4.468  -0.295  -0.395  0.00  0.00    -0.005 C 
ENDBRANCH   6  27
TORSDOF 3