REMARK  Name = BDB023870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.502  -3.399   3.703  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.561  -3.248   2.535  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.749  -2.154   1.700  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.865  -2.087   0.521  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.897  -0.725  -0.077  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.124  -0.168  -1.122  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.508   1.089  -1.385  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.479   1.358  -0.486  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.758   0.282   0.307  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.742   0.144   1.409  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.996  -1.359   1.661  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.661  -4.070   2.357  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.052  -0.805  -1.873  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        1.250  -0.924  -1.349  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.631  -0.383   0.006  0.00  0.00    +0.132 C 
ATOM     16  C   LIG    1        3.110  -0.082   0.203  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1        4.013  -0.651  -0.694  0.00  0.00    -0.294 N 
ATOM     18  C   LIG    1        3.591  -1.797  -1.486  0.00  0.00    +0.143 C 
ATOM     19  O   LIG    1        3.463   0.628   1.148  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.229  -1.607  -2.089  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        1.913  -2.147  -3.343  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        0.633  -1.996  -3.872  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.347  -1.328  -3.140  0.00  0.00    +0.010 A 
BRANCH  17  24
ATOM     24  C   LIG    1        5.456  -0.485  -0.493  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        5.995  -1.191   0.759  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        7.183  -0.342   1.180  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        6.708   1.077   0.912  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        5.942   0.975  -0.404  0.00  0.00    +0.022 C 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.094   2.680  -0.525  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -3.014   3.435   0.810  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -4.225   4.335   1.012  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -4.572   4.956  -0.219  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -5.092   4.047  -1.189  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -4.517   2.639  -1.081  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3