REMARK  Name = BDB048454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.650   1.170  -1.860  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.479   2.120   0.339  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1        0.971   2.251  -0.938  0.00  0.00    -0.323 N 
ATOM      4  C   LIG    1        0.881   3.598  -1.226  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        1.355   4.223  -0.077  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        1.403   5.624  -0.021  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.969   6.360  -1.129  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.494   5.714  -2.271  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.439   4.317  -2.345  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.721   3.303   0.869  0.00  0.00    -0.232 NA
BRANCH   2  11
ATOM     11  C   LIG    1        1.722   0.817   1.032  0.00  0.00    +0.074 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.154   0.327   0.808  0.00  0.00    +0.008 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.397  -1.012   1.508  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.830  -1.501   1.289  0.00  0.00    -0.000 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.001  -2.935   3.393  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        5.094  -2.889   1.876  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   2  11
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.648   0.464  -1.545  0.00  0.00    -0.028 A 
ATOM     18  C   LIG    1       -0.732  -0.925  -1.720  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -1.921  -1.610  -1.452  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -3.060  -0.925  -1.007  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1       -2.983   0.467  -0.860  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -1.796   1.155  -1.132  0.00  0.00    +0.006 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.312  -1.643  -0.727  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1       -4.495  -2.495   0.384  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1       -5.716  -3.174   0.557  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.756  -3.015  -0.358  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.589  -2.176  -1.453  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.381  -1.499  -1.635  0.00  0.00    +0.009 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -3.436  -2.667   1.414  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -2.590  -1.865   1.758  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.485  -3.892   1.975  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -2.745  -3.875   2.618  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 10