REMARK  Name = BDB019032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.551   0.169   1.248  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        1.529   0.651   0.443  0.00  0.00    +0.090 A 
ATOM      3  N   LIG    1        0.443   0.816   1.289  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.815   1.302   0.867  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.978   1.633  -0.385  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.086   1.471  -1.243  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.845   0.431   2.541  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.310   0.997  -0.922  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        2.093   0.028   2.559  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.268   0.881  -2.037  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.382  -0.275  -2.825  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        1.581  -1.511  -2.532  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        3.213  -0.353  -3.899  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        3.974   0.727  -4.177  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        3.936   1.905  -3.453  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        3.064   1.984  -2.373  0.00  0.00    +0.012 A 
ENDBRANCH   8  10
BRANCH   1  20
ATOM     17  C   LIG    1        6.019  -1.005   1.929  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1        4.611  -0.724   1.973  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        4.110  -0.718   2.857  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        3.937  -0.170   0.906  0.00  0.00    +0.264 C 
ATOM     21  O   LIG    1        4.454   0.029  -0.185  0.00  0.00    -0.268 OA
ENDBRANCH   1  20
BRANCH   4  22
ATOM     22  N   LIG    1       -1.835   1.417   1.787  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.742   0.981   2.695  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.215   1.658   1.411  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.999   0.380   1.485  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.118  -0.497   0.412  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.522  -0.445  -0.945  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -4.348  -1.539  -1.621  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -4.845  -2.443  -0.607  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.830  -1.686   0.535  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.440  -2.063   1.714  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.332  -1.202   2.805  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.619  -0.002   2.683  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.514   0.790   3.761  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 5