REMARK  Name = BDB016884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.957  -0.691   0.006  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.108   0.372  -0.641  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        1.226  -0.168  -0.352  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.212  -1.319   0.360  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        2.468  -1.754   0.623  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        3.267  -0.844   0.068  0.00  0.00    +0.135 A 
ATOM      7  N   LIG    1        2.523   0.162  -0.542  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1        2.896   0.988  -0.989  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -0.150  -1.708   0.626  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1       -0.500  -2.705   1.237  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -5.090   1.359  -1.860  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -4.430   0.320  -0.989  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -5.186  -0.642  -0.251  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -4.498  -1.565   0.514  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1       -5.473  -2.348   1.093  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -6.660  -1.925   0.704  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -5.198  -3.481   2.004  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1       -3.112  -1.604   0.613  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1       -2.353  -0.713  -0.058  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1       -6.479  -0.854  -0.139  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1       -3.078   0.266  -0.887  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.282   1.768  -0.069  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.228   2.880  -0.928  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.367   4.176  -0.427  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.553   4.375   0.939  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.722   5.972   1.554  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.598   3.289   1.808  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.460   1.992   1.308  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   6  29
ATOM     29  C   LIG    1        4.694  -0.761   0.037  0.00  0.00    -0.005 C 
ATOM     30  C   LIG    1        5.508   0.160  -0.849  0.00  0.00    +0.066 C 
ATOM     31  C   LIG    1        6.962  -0.295  -0.957  0.00  0.00    +0.165 C 
ATOM     32  O   LIG    1        7.488  -0.521   0.347  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1        6.858  -1.637   0.980  0.00  0.00    +0.187 C 
ATOM     34  C   LIG    1        5.364  -1.595   0.860  0.00  0.00    +0.008 C 
ENDBRANCH   6  29
TORSDOF 3