REMARK  Name = BDB023998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.346   2.935  -3.593  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.027   2.965  -2.865  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.922   2.214  -1.701  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.644   2.337  -0.971  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.502   1.231   0.011  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.402   0.844   0.815  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.711  -0.218   1.575  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.976  -0.536   1.231  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.498   0.331   0.319  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.846   0.331  -0.295  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.092   1.710  -0.946  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.091   3.628  -3.312  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.085   1.461   0.873  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        1.032   0.883   0.237  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        0.944  -0.402  -0.550  0.00  0.00    +0.132 C 
ATOM     16  C   LIG    1        2.251  -1.166  -0.707  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1        3.440  -0.481  -0.448  0.00  0.00    -0.294 N 
ATOM     18  C   LIG    1        3.426   0.976  -0.488  0.00  0.00    +0.143 C 
ATOM     19  O   LIG    1        2.231  -2.346  -1.066  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.265   1.554   0.271  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        2.383   2.777   0.946  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.283   3.331   1.596  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        0.053   2.677   1.557  0.00  0.00    +0.010 A 
BRANCH  17  24
ATOM     24  C   LIG    1        4.710  -1.195  -0.687  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        5.134  -1.112  -2.166  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        6.576  -1.571  -2.348  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        7.562  -0.698  -1.570  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        6.934   0.032  -0.382  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        5.839  -0.794   0.286  0.00  0.00    +0.022 C 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.611  -1.702   1.829  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.769  -2.970   1.672  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.508  -4.172   2.252  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.472  -3.810   3.244  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.011  -2.759   4.088  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.967  -1.456   3.302  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3