REMARK  Name = BDB022453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.982  -1.862   0.688  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.688  -1.725   0.155  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.179  -2.825   0.018  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1        0.271  -4.084   0.439  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.550  -4.240   0.970  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.399  -3.139   1.090  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.595   1.551   1.095  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        3.310   1.567   1.677  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1        2.792   2.743   2.462  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1        2.470   0.443   1.534  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        2.872  -0.698   0.824  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        4.148  -0.691   0.252  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        4.995   0.416   0.384  0.00  0.00    +0.024 A 
BRANCH   7  15
ATOM     14  C   LIG    1        6.722   2.847   0.807  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        5.426   2.686   1.244  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        5.040   3.451   1.775  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.444   2.021   0.263  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.619   5.341   1.106  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.299   4.187   1.115  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  C   LIG    1       -1.571  -2.621  -0.582  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -1.799  -3.538  -1.788  0.00  0.00    +0.022 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.700  -2.815   0.439  0.00  0.00    +0.225 C 
ATOM     23  N   LIG    1       -3.906  -2.190   0.312  0.00  0.00    -0.268 N 
ATOM     24  H   LIG    1       -4.548  -2.430   1.055  0.00  0.00    +0.156 HD
ATOM     25  O   LIG    1       -2.587  -3.580   1.406  0.00  0.00    -0.275 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.370  -1.305  -0.631  0.00  0.00    +0.147 A 
ATOM     27  N   LIG    1       -3.689  -0.856  -1.686  0.00  0.00    -0.158 NA
ATOM     28  N   LIG    1       -4.542  -0.030  -2.315  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1       -4.235   0.432  -3.164  0.00  0.00    +0.189 HD
ATOM     30  C   LIG    1       -5.745   0.071  -1.690  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -5.675  -0.750  -0.594  0.00  0.00    +0.068 A 
BRANCH  30  32
ATOM     32  C   LIG    1       -6.951   0.916  -2.147  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1       -7.536   1.927  -1.197  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -6.757   2.389  -2.393  0.00  0.00    +0.010 C 
ENDBRANCH  30  32
ENDBRANCH  23  26
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 7