REMARK  Name = BDB012834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.352  -0.534  -1.571  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -1.167  -0.429  -1.350  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.616   0.692  -2.171  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.774   1.438  -2.025  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.885   2.531  -2.583  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.512   1.232  -2.943  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.538   0.132  -2.937  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        0.773   3.020   1.768  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        1.396   1.846   1.074  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        0.649   1.211   0.142  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        1.181   0.145  -0.498  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        2.471  -0.306  -0.234  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        3.235   0.352   0.729  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        2.688   1.449   1.394  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.580  -0.097   1.028  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        5.103  -1.390   1.307  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1        4.377  -2.680   1.407  0.00  0.00    +0.068 C 
ATOM     18  N   LIG    1        6.428  -1.356   1.503  0.00  0.00    -0.176 NA
ATOM     19  N   LIG    1        6.747  -0.059   1.362  0.00  0.00    -0.274 N 
ATOM     20  C   LIG    1        8.121   0.353   1.511  0.00  0.00    +0.172 C 
ATOM     21  C   LIG    1        5.677   0.738   1.080  0.00  0.00    +0.116 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1       -3.859   0.933  -1.218  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -4.860   1.777  -0.810  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1       -4.933   2.768  -1.018  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -5.811   1.195  -0.061  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1       -5.438  -0.088  -0.012  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -4.234  -0.302  -0.729  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.276  -1.090   0.732  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1       -6.832  -2.164  -0.205  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -5.496  -1.731   1.881  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4