REMARK  Name = BDB048895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.868  -0.038   0.092  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -4.858  -0.393  -0.815  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.532  -0.394  -0.383  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -3.192  -0.042   0.948  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -4.208   0.285   1.852  0.00  0.00    +0.080 A 
ATOM      6  N   LIG    1       -3.967   0.594   3.129  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.688   0.565   3.520  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1       -1.632   0.277   2.756  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1       -1.880  -0.011   1.464  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -5.526   0.289   1.409  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  11
ATOM     11  N   LIG    1       -0.781  -0.258   0.603  0.00  0.00    -0.312 N 
ATOM     12  C   LIG    1        0.369  -0.900   1.286  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1        1.447   0.107   1.756  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        1.910   1.071   0.735  0.00  0.00    -0.291 NA
ATOM     15  C   LIG    1        1.080   1.038  -0.478  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1       -0.425   0.986  -0.129  0.00  0.00    +0.122 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.357   1.030   0.469  0.00  0.00    +0.180 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.882  -0.275  -0.161  0.00  0.00    +0.230 C 
ATOM     19  N   LIG    1        5.148  -0.209  -0.713  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1        5.758  -1.366  -1.344  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1        6.993  -0.809  -2.038  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        7.392   0.354  -1.138  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        6.049   0.933  -0.713  0.00  0.00    +0.108 C 
ATOM     24  O   LIG    1        3.244  -1.329  -0.168  0.00  0.00    -0.274 OA
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   9  11
BRANCH   1  26
ATOM     25  C   LIG    1       -8.201   0.297   0.496  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -7.151  -0.049  -0.397  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1       -5.264  -0.714  -2.085  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -4.275  -1.176  -2.995  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 5