REMARK  Name = BDB056274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.467  -0.718   1.460  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.821   0.464   1.853  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.543   0.457   2.156  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -1.270  -0.733   2.055  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.623  -1.923   1.705  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.743  -1.917   1.406  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.713  -0.781   2.394  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1       -3.579   0.148   1.817  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -4.967   0.151   2.273  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -5.656   1.475   1.976  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -5.633   1.826   0.472  0.00  0.00    +0.060 C 
ATOM     12  C   LIG    1       -4.492   1.105  -0.275  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -3.268   0.936   0.621  0.00  0.00    +0.109 C 
ATOM     14  O   LIG    1       -3.084  -1.651   3.178  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  N   LIG    1       -6.964   1.706  -0.140  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -7.574   0.378  -0.147  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -8.764   0.538  -1.086  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -8.475   1.796  -1.898  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -7.059   2.192  -1.514  0.00  0.00    +0.085 C 
ENDBRANCH  11  15
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  O   LIG    1        3.608   0.249   1.618  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        2.924  -0.653   1.149  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        3.417  -1.623   0.299  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1        2.771  -2.213  -0.205  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.800  -1.609  -0.148  0.00  0.00    +0.106 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.993  -0.685  -1.345  0.00  0.00    +0.034 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.285  -0.922  -2.140  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  N   LIG    1        7.514  -0.543  -1.439  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1        8.597  -0.236  -2.381  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1        9.830  -0.205  -1.496  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        9.507  -1.150  -0.346  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        8.071  -1.597  -0.586  0.00  0.00    +0.084 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 7