REMARK  Name = BDB002279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.227   0.596   0.834  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -1.170   1.165   1.536  0.00  0.00    -0.296 N 
ATOM      3  H   LIG    1       -1.437   1.727   2.342  0.00  0.00    +0.153 HD
ATOM      4  C   LIG    1        0.049   1.405   0.982  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        0.486   0.584  -0.197  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -0.698   0.161  -1.114  0.00  0.00    +0.130 C 
ATOM      7  N   LIG    1       -0.394  -1.216  -1.603  0.00  0.00    -0.324 N 
ATOM      8  C   LIG    1        0.604  -1.706  -0.738  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        1.076  -3.007  -0.687  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        2.038  -3.349   0.272  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        2.519  -2.389   1.173  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        2.042  -1.076   1.107  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -0.095  -1.370  -3.022  0.00  0.00    +0.130 C 
ATOM     14  C   LIG    1        1.487   1.548  -0.810  0.00  0.00    +0.059 C 
ATOM     15  C   LIG    1        2.000   2.312   0.411  0.00  0.00    +0.216 C 
ATOM     16  C   LIG    1        1.093  -0.747   0.148  0.00  0.00    -0.007 A 
ATOM     17  N   LIG    1        0.866   2.329   1.387  0.00  0.00    -0.258 NA
ATOM     18  C   LIG    1       -2.041   0.107  -0.409  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1       -3.590   0.662   1.474  0.00  0.00    +0.354 C 
ATOM     20  O   LIG    1       -4.659   0.474   0.919  0.00  0.00    -0.244 OA
BRANCH  19  22
ATOM     21  C   LIG    1       -4.664   1.140   3.497  0.00  0.00    +0.280 C 
ATOM     22  O   LIG    1       -3.434   1.028   2.778  0.00  0.00    -0.464 OA
ENDBRANCH  19  22
ENDBRANCH   1  19
BRANCH  11  23
ATOM     23  O   LIG    1        3.452  -2.605   2.151  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        3.937  -3.934   2.296  0.00  0.00    +0.277 C 
ENDBRANCH  11  23
BRANCH  15  25
ATOM     25  C   LIG    1        2.380   3.738   0.022  0.00  0.00    +0.332 C 
ATOM     26  O   LIG    1        1.663   4.726   0.112  0.00  0.00    -0.248 OA
BRANCH  25  27
ATOM     27  O   LIG    1        3.642   3.740  -0.507  0.00  0.00    -0.466 OA
ATOM     28  C   LIG    1        4.095   5.031  -0.915  0.00  0.00    +0.280 C 
ENDBRANCH  25  27
ENDBRANCH  15  25
BRANCH  18  29
ATOM     29  C   LIG    1       -3.138  -0.436  -1.225  0.00  0.00    +0.339 C 
ATOM     30  O   LIG    1       -3.484   0.061  -2.287  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.617  -1.568  -0.655  0.00  0.00    -0.465 OA
ATOM     32  C   LIG    1       -4.685  -2.167  -1.385  0.00  0.00    +0.280 C 
ENDBRANCH  29  31
ENDBRANCH  18  29
TORSDOF 7