REMARK  Name = BDB003005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413  -1.647  -2.243  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -0.265  -1.035  -1.174  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.624  -0.641  -1.353  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.220  -0.879  -2.612  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -3.541  -0.505  -2.814  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -4.301   0.096  -1.806  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.736   0.332  -0.554  0.00  0.00    +0.060 A 
ATOM      8  N   LIG    1       -1.562  -1.451  -3.629  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1       -2.405  -0.040  -0.333  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -0.275  -1.819  -3.433  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.817  -2.112  -2.219  0.00  0.00    +0.342 C 
ATOM     12  O   LIG    1        2.486  -2.275  -3.227  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        2.219  -2.379  -0.950  0.00  0.00    -0.461 OA
BRANCH  13  15
ATOM     14  C   LIG    1        3.896  -3.032   0.621  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        3.571  -2.849  -0.849  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  N   LIG    1        0.410  -0.714   0.043  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        1.110  -1.435   0.249  0.00  0.00    +0.152 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.967   0.553   0.369  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        1.744   0.657   1.532  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        2.279   1.888   1.935  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1        2.020   3.037   1.183  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        1.227   2.951   0.040  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        0.698   1.720  -0.358  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.108   1.920   3.163  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        3.402   0.958   3.848  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.531   3.157   3.477  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        4.055   3.028   4.295  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   2  16
BRANCH   7  28
ATOM     28  C   LIG    1       -4.579   0.970   0.493  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1       -5.740   1.300   0.312  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -3.880   1.126   1.644  0.00  0.00    -0.464 OA
ATOM     31  C   LIG    1       -4.624   1.736   2.699  0.00  0.00    +0.280 C 
ENDBRANCH  28  30
ENDBRANCH   7  28
TORSDOF 9