REMARK  Name = BDB034381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.259  -0.450  -1.054  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        4.519   0.729  -0.951  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        3.157   0.709  -0.687  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        2.489  -0.534  -0.550  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.084  -0.517  -0.302  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        0.473   0.725  -0.118  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.222   1.877  -0.270  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        3.259  -1.720  -0.666  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1        2.534   1.888  -0.565  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        4.628  -1.678  -0.927  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        0.381  -1.724  -0.136  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        0.747  -2.458  -0.736  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.077  -1.777  -0.031  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.745  -1.582  -1.391  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.266  -1.754  -1.347  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.909  -0.699  -0.565  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1       -3.664  -0.788   0.421  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -5.370  -0.789  -0.665  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -6.032   0.274   0.169  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -6.857  -0.032   1.238  0.00  0.00    +0.171 A 
ATOM     21  O   LIG    1       -7.172  -1.282   1.681  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1       -8.043  -0.975   2.788  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1       -8.232   0.438   2.994  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1       -7.465   0.948   1.993  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -7.290   2.289   1.729  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -6.466   2.636   0.658  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.844   1.639  -0.115  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  28
ATOM     28  O   LIG    1        6.604  -0.465  -1.346  0.00  0.00    -0.456 OA
BRANCH  28  32
ATOM     29  C   LIG    1        9.184   2.090   0.689  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.240   1.363   1.416  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.360   0.505   0.756  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1        7.417   0.389  -0.635  0.00  0.00    +0.128 A 
ATOM     33  C   LIG    1        8.375   1.098  -1.360  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1        9.255   1.955  -0.698  0.00  0.00    +0.004 A 
ENDBRANCH  28  32
ENDBRANCH   1  28
TORSDOF 9