REMARK  Name = BDB024052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.677  -0.301   2.410  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -2.007   0.341   1.251  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.269  -0.453   0.443  0.00  0.00    +0.105 A 
ATOM      4  N   LIG    1       -1.126  -1.817   0.697  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.755  -2.435   1.774  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -1.511  -3.725   1.816  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -0.694  -3.962   0.749  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1       -0.423  -2.811   0.023  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -2.542  -1.627   2.637  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -2.123   1.747   0.983  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.097   2.601   0.642  0.00  0.00    +0.113 A 
ATOM     12  N   LIG    1       -1.665   3.832   0.488  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -1.209   4.706   0.248  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -2.993   3.841   0.689  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -3.269   2.570   1.003  0.00  0.00    +0.142 A 
ENDBRANCH   2  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.408  -2.651  -1.168  0.00  0.00    +0.091 A 
ATOM     17  N   LIG    1        0.971  -1.433  -1.337  0.00  0.00    -0.231 NA
ATOM     18  C   LIG    1        1.788  -1.236  -2.392  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        2.059  -2.252  -3.304  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        1.478  -3.502  -3.127  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.639  -3.708  -2.041  0.00  0.00    +0.030 A 
BRANCH  18  22
ATOM     22  N   LIG    1        2.365   0.022  -2.623  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.370  -0.079  -2.726  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        1.990   1.081  -1.681  0.00  0.00    +0.087 C 
ATOM     25  C   LIG    1        2.631   0.912  -0.290  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1        3.207   2.222   0.043  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1        3.980   2.114   0.698  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        3.671   2.756  -1.233  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1        2.532   2.425  -2.180  0.00  0.00    +0.038 C 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   8  16
BRANCH   1  31
ATOM     30  C   LIG    1       -4.045   0.062   4.355  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -3.400   0.573   3.195  0.00  0.00    -0.494 OA
ENDBRANCH   1  31
TORSDOF 5