REMARK  Name = BDB012798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.971   0.349   1.805  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.308   0.794   1.505  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -0.840   1.091   0.174  0.00  0.00    +0.152 C 
ATOM      4  C   LIG    1       -2.355   0.853   0.277  0.00  0.00    +0.194 C 
ATOM      5  C   LIG    1       -2.624   1.114   1.760  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -1.394   0.526   2.432  0.00  0.00    +0.112 C 
ATOM      7  O   LIG    1        1.200  -0.257   2.850  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.837   0.615  -0.436  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        3.223   1.777  -0.694  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        2.164   1.774   0.130  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        1.581   2.602   0.161  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.017   0.625   0.853  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.130  -0.130   0.537  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.949  -1.010  -1.988  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.111   0.257  -1.146  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.277   0.106  -0.167  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  O   LIG    1       -2.610  -0.517  -0.061  0.00  0.00    -0.471 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -3.929  -0.796  -0.355  0.00  0.00    +0.215 A 
ATOM     19  N   LIG    1       -4.859   0.179  -0.280  0.00  0.00    -0.221 NA
ATOM     20  C   LIG    1       -6.129  -0.175  -0.575  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -6.510  -1.457  -0.939  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.530  -2.440  -1.006  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.213  -2.107  -0.708  0.00  0.00    +0.067 A 
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 4