REMARK  Name = BDB012824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.920  -2.276  -0.358  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.000  -1.622  -1.392  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.163  -1.166  -0.646  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.187  -0.497  -1.295  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.168  -0.354  -2.517  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.195  -1.764   0.683  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.089  -2.814   0.666  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.142   0.945   3.131  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -2.502   0.254   1.850  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.616  -0.643   1.360  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.922  -1.287   0.209  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.111  -1.048  -0.478  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.020  -0.118   0.030  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -3.706   0.542   1.218  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.266   0.142  -0.669  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.936   1.349  -0.684  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -7.039   1.168  -1.468  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -8.046   2.149  -1.792  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -7.141  -0.075  -1.969  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -6.062  -0.696  -1.486  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.268   0.016  -0.493  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        3.147   0.601   0.735  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        2.293   0.772   1.256  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        4.310   0.998   1.275  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        5.215   0.733   0.324  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.608   0.135  -0.807  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        6.661   1.075   0.537  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        7.153   2.104  -0.482  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        7.545  -0.173   0.509  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4