REMARK  Name = BDB048491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.797  -0.190  -0.598  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.499   0.102  -0.846  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1        0.281  -0.785  -1.511  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -0.236  -2.001  -1.978  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -1.580  -2.314  -1.721  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -2.201  -3.603  -2.184  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.357  -1.387  -1.019  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.492   0.797   0.099  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -1.851   1.562   0.266  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1       -6.568   2.597   2.231  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -5.543   1.796   1.530  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1       -5.800   0.555   1.022  0.00  0.00    -0.280 N 
ATOM     13  H   LIG    1       -6.671   0.035   1.049  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -4.744  -0.012   0.423  0.00  0.00    -0.158 NA
ATOM     15  C   LIG    1       -3.763   0.887   0.539  0.00  0.00    +0.146 A 
ATOM     16  C   LIG    1       -4.221   2.038   1.229  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.613  -0.427  -1.784  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        2.248  -1.192  -1.557  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.097   0.828  -1.198  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.434   0.680   0.293  0.00  0.00    +0.247 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.426  -0.334   0.499  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.743   0.018   0.474  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        5.645  -0.985   0.819  0.00  0.00    +0.156 A 
ATOM     24  N   LIG    1        6.991  -0.835   0.851  0.00  0.00    -0.260 NA
ATOM     25  C   LIG    1        7.466   0.380   0.514  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        6.657   1.444   0.151  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        5.274   1.257   0.130  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  28
ATOM     28  C   LIG    1        0.598  -2.913  -2.706  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        1.263  -3.675  -3.276  0.00  0.00    -0.191 NA
ENDBRANCH   4  28
TORSDOF 8