REMARK  Name = BDB051246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.228  -0.999   1.870  0.00  0.00    +0.001 C 
ATOM      2  C   LIG    1        0.842  -0.393   2.427  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1        1.555  -1.132   3.485  0.00  0.00    +0.052 N 
ATOM      4  O   LIG    1        2.377  -0.506   4.166  0.00  0.00    -0.126 OA
ATOM      5  O   LIG    1        1.302  -2.336   3.634  0.00  0.00    -0.126 OA
ENDBRANCH   2   3
BRANCH   2   6
ATOM      6  C   LIG    1        1.366   0.986   2.130  0.00  0.00    +0.060 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.352   1.042   0.953  0.00  0.00    +0.006 C 
BRANCH   7   8
ATOM      8  C   LIG    1        3.683   0.337   1.228  0.00  0.00    +0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.727   0.565   0.129  0.00  0.00    +0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.324  -0.032  -1.222  0.00  0.00    +0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.455  -0.011  -2.254  0.00  0.00    +0.011 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.898   1.399  -2.641  0.00  0.00    +0.120 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.913   1.376  -3.752  0.00  0.00    +0.305 C 
ATOM     14  O   LIG    1        7.411   0.401  -4.287  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        7.261   2.620  -4.137  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1        7.920   2.472  -4.848  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   2   6
BRANCH   1  17
ATOM     17  C   LIG    1       -1.097  -0.433   0.782  0.00  0.00    +0.029 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.503  -0.123   1.303  0.00  0.00    +0.004 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.394   0.434   0.190  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.784   0.854   0.676  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.637  -0.258   1.296  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.865  -1.490   0.415  0.00  0.00    -0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -6.880  -2.440  -1.686  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.583  -1.174  -0.897  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 17