REMARK  Name = BDB019597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.492  -0.079  -1.018  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.435   1.302  -1.252  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.708   2.049  -0.926  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -1.802   1.371  -0.361  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.771  -0.014  -0.130  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -0.614  -0.734  -0.468  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.760   3.499  -1.175  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -1.118   4.399  -0.162  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -1.157   5.765  -0.433  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -1.532   6.736   0.645  0.00  0.00    +0.065 C 
ATOM     11  N   LIG    1       -0.864   6.274  -1.651  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1       -0.519   5.399  -2.619  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -0.453   4.029  -2.433  0.00  0.00    +0.028 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     14  N   LIG    1        2.013  -1.958  -0.695  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        1.497  -2.151   0.151  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        1.737  -0.805  -1.397  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        2.469  -0.350  -2.269  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1        3.255  -2.676  -0.882  0.00  0.00    +0.141 C 
BRANCH  18  23
ATOM     19  C   LIG    1        6.981  -1.452   3.331  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        6.021  -1.743   2.216  0.00  0.00    +0.038 A 
ATOM     21  N   LIG    1        5.356  -2.922   2.260  0.00  0.00    -0.260 NA
ATOM     22  C   LIG    1        4.493  -3.186   1.253  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1        4.247  -2.328   0.188  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1        4.941  -1.117   0.171  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.839  -0.819   1.192  0.00  0.00    +0.023 A 
ENDBRANCH  18  23
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -2.967  -0.723   0.463  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.480  -1.692  -0.485  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1       -3.564  -1.300  -1.420  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -4.578  -2.429  -0.217  0.00  0.00    +0.176 C 
ATOM     30  N   LIG    1       -4.696  -2.966   1.024  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1       -3.825  -3.339   1.380  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -5.783  -3.923   0.962  0.00  0.00    +0.127 C 
ATOM     33  C   LIG    1       -6.486  -3.509  -0.334  0.00  0.00    +0.163 C 
ATOM     34  N   LIG    1       -5.510  -2.677  -1.090  0.00  0.00    -0.255 NA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7