REMARK  Name = BDB030636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.230   1.258  -1.059  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.905   1.399  -0.663  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.212   0.644   0.373  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -1.181   1.190   0.366  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1       -2.070   1.051  -0.854  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -1.246   2.303  -0.617  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        0.102   2.470  -1.234  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        2.698   2.000  -1.927  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        4.880  -1.053   0.010  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        3.795  -1.387   0.768  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        3.731  -2.112   1.475  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        2.704  -0.647   0.519  0.00  0.00    -0.169 NA
ATOM     13  C   LIG    1        3.087   0.216  -0.443  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        4.451  -0.014  -0.786  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1        6.575  -2.437  -1.184  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        6.195  -1.757   0.132  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        7.293  -0.792   0.579  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1       -3.551   1.111  -0.709  0.00  0.00    +0.220 C 
ATOM     19  N   LIG    1       -4.171   0.001  -0.135  0.00  0.00    -0.299 N 
ATOM     20  C   LIG    1       -3.454  -1.219   0.207  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1       -4.143   2.112  -1.098  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -5.611   0.011   0.086  0.00  0.00    +0.034 C 
ATOM     23  C   LIG    1       -6.207   1.061   1.004  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -6.156  -0.365   1.453  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1       -6.427  -0.392  -1.121  0.00  0.00    +0.032 C 
ENDBRANCH  19  22
ENDBRANCH   5  18
TORSDOF 4